data_2mgz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mgz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.323 0.582 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 121.454 0.645 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.764 0.316 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 121.332 0.587 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.915 0.388 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp . . . . . 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' A' ' 102' ' ' LEU . 38.6 ttt180 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . 0.441 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.441 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 121.289 0.566 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt . . . . . 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.494 0.664 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' B' ' 44' ' ' TYR . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' B' ' 42' ' ' LEU . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.804 0.335 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 140' ' ' GLY . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 138' ' ' SER . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.506 0.193 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 CA--C 1.54 0.587 0 CA-C-O 120.995 0.426 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.042 0.448 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 120.841 0.353 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.821 0.343 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 121.587 0.708 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.18 0.515 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 120.816 0.341 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 121.299 0.571 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.062 0.458 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt . . . . . 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 121.508 0.671 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.853 0.358 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 120.288 0.09 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.431 ' C ' ' HG1' ' B' ' 68' ' ' THR . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' B' ' 67' ' ' ILE . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 CA--C 1.554 1.116 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -161.61 144.85 12.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.645 1.578 . . . . 0.0 111.121 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.12 -177.47 48.39 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.548 1.07 . . . . 0.0 113.925 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -66.84 143.91 68.83 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.963 3.108 . . . . 0.0 113.066 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.92 -4.5 58.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.636 1.174 . . . . 0.0 113.663 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -98.66 136.42 38.75 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.152 2.181 . . . . 0.0 109.014 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -66.84 159.85 27.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -67.99 131.44 45.47 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.287 1.9 m 76.29 135.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 129.87 3.268 . . . . 0.0 111.026 -168.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -122.29 8.59 9.7 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -167.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.47 135.2 57.59 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.036 0.934 . . . . 0.0 112.63 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.71 155.18 44.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.143 1.777 . . . . 0.0 111.591 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.23 -25.76 58.39 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.55 23.69 13.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.632 1.973 . . . . 0.0 114.786 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -154.17 155.2 30.77 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.849 1.26 . . . . 0.0 113.41 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -73.74 169.32 22.64 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.5 2.8 . . . . 0.0 110.963 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 163.78 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 76.8 mtm -95.95 -13.84 23.54 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.8 t -166.72 147.84 6.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.892 1.677 . . . . 0.0 110.544 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.366 1.866 . . . . 0.0 112.355 -174.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.1 p -159.45 154.13 24.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.009 1.323 . . . . 0.0 111.741 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -168.77 171.8 8.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.551 1.94 . . . . 0.0 110.632 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -157.92 152.14 24.46 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.134 1.774 . . . . 0.0 111.709 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.58 168.24 20.27 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.739 1.615 . . . . 0.0 111.795 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.87 132.13 94.72 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.3 1.04 . . . . 0.0 110.503 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -71.33 134.3 24.46 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.201 2.6 . . . . 0.0 111.339 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -152.41 160.96 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.796 2.039 . . . . 0.0 110.226 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -139.69 141.25 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.069 1.348 . . . . 0.0 111.091 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.02 -4.13 72.37 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.68 1.133 . . . . 0.0 114.737 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.0 p -60.0 -15.88 26.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.75 1.62 . . . . 0.0 115.117 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -69.85 -23.34 63.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.957 1.303 . . . . 0.0 113.247 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -138.67 -16.82 1.13 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 20.8 m -138.49 112.93 8.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.834 2.053 . . . . 0.0 107.532 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.88 67.59 0.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.859 0.864 . . . . 0.0 111.112 -170.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -106.44 -20.92 13.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.455 1.102 . . . . 0.0 113.428 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.23 130.7 42.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 3.23 36.58 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -112.78 -21.06 11.39 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.019 1.328 . . . . 0.0 113.383 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -130.55 -13.08 3.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.839 1.656 . . . . 0.0 114.492 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 67.79 11.66 8.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.634 1.973 . . . . 0.0 112.751 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -72.33 145.96 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.275 -0.89 . . . . 0.0 112.192 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 164.19 18.19 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.1 155.18 15.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 124.732 3.621 . . . . 0.0 114.222 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -156.35 174.01 16.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.417 1.487 . . . . 0.0 113.304 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.2 p -68.09 166.52 15.88 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.362 1.865 . . . . 0.0 112.083 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.17 124.68 20.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.832 0.853 . . . . 0.0 112.729 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.12 131.83 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.334 1.854 . . . . 0.0 109.111 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -138.17 10.83 2.81 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.158 0.983 . . . . 0.0 113.009 -169.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 58.1 tp -157.58 137.87 12.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.655 1.582 . . . . 0.0 110.347 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.276 1.83 . . . . 0.0 112.047 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 N19-C1'-C2' 118.047 2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 100.326 -2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 112.632 1.737 . 0.159 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 1 O5'-C5'-C4' 116.096 4.212 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 O4'-C1'-N19 114.333 6.133 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 1 O4'-C1'-N19 114.899 6.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.543 1.711 1 O4'-C1'-N19 115.556 7.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.255 3.061 . 0.094 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 2 O4'-C1'-N19 112.961 4.761 . 0.769 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 C5'-C4'-C3' 108.758 -4.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 O4'-C1'-N19 110.286 2.086 . 0.417 4p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -161.52 156.81 23.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.42 1.488 . . . . 0.0 111.708 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.36 170.7 54.87 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.442 1.02 . . . . 0.0 112.937 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.72 -24.2 7.52 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.122 2.548 . . . . 0.0 113.644 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 66.15 -9.94 0.27 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.448 2.299 . . . . 0.0 115.544 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -101.59 149.36 24.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.344 1.858 . . . . 0.0 109.676 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.465 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -71.46 153.98 41.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -75.9 29.85 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 25.3 m -155.8 177.04 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 129.125 2.97 . . . . 0.0 108.925 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -47.85 131.5 15.06 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.442 1.097 . . . . 0.0 113.594 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -167.48 142.34 3.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.574 1.55 . . . . 0.0 111.314 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.71 104.81 2.73 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.66 1.184 . . . . 0.0 110.095 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 156.74 28.16 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -164.14 168.56 18.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.578 1.551 . . . . 0.0 111.873 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.54 126.79 90.33 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 123.844 0.857 . . . . 0.0 111.925 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.68 145.12 25.62 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.13 2.553 . . . . 0.0 110.419 169.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.8 tp -157.79 135.51 10.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.284 1.034 . . . . 0.0 111.138 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 17.1 tpt -165.78 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 110.964 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 66.7 m -145.44 146.66 31.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.519 1.528 . . . . 0.0 110.787 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.273 1.829 . . . . 0.0 112.027 -176.728 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.5 p -161.84 166.33 26.51 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.3 1.44 . . . . 0.0 111.781 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -144.31 147.97 34.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -172.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -110.09 7.16 23.4 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.817 1.647 . . . . 0.0 113.568 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.9 173.19 14.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.702 2.401 . . . . 0.0 110.188 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.85 137.89 26.52 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 124.728 1.211 . . . . 0.0 110.814 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.44 160.53 25.66 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.772 2.982 . . . . 0.0 111.984 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 p -161.05 132.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.455 1.502 . . . . 0.0 109.763 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -150.84 151.87 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.722 1.609 . . . . 0.0 111.116 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -134.99 7.31 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.185 1.374 . . . . 0.0 111.891 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -155.69 153.77 30.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.011 1.325 . . . . 0.0 111.239 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -92.41 -8.8 43.8 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.819 1.248 . . . . 0.0 113.773 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -161.3 146.15 13.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.078 1.351 . . . . 0.0 112.157 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.3 m -68.95 139.39 55.06 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.568 1.547 . . . . 0.0 110.615 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 27.6 ttt -152.97 144.61 23.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.941 1.296 . . . . 0.0 111.377 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -134.75 150.46 50.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.82 1.648 . . . . 0.0 109.659 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 178.82 125.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.51 0.71 16.32 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -106.45 -41.64 5.24 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.63 -1.293 . . . . 0.0 113.335 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -97.35 -35.69 10.63 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.721 1.209 . . . . 0.0 112.326 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 72.47 18.63 4.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.77 2.428 . . . . 0.0 112.457 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -94.8 144.72 25.41 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.155 0.982 . . . . 0.0 113.533 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -49.85 135.72 20.31 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.04 168.39 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.986 3.124 . . . . 0.0 111.86 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -65.5 157.85 28.48 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.845 0.858 . . . . 0.0 112.314 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.0 m -48.43 138.84 9.71 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.607 2.363 . . . . 0.0 112.521 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -72.5 47.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.782 2.033 . . . . 0.0 114.403 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -140.04 131.21 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.119 2.168 . . . . 0.0 108.357 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -83.47 127.14 33.47 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.845 0.858 . . . . 0.0 110.624 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.31 154.06 17.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.872 1.269 . . . . 0.0 110.396 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.018 1.727 . . . . 0.0 112.069 -177.81 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . 0.465 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 C5'--C4' 1.539 2.263 0 O4'-C1'-C2' 101.909 -3.208 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.427 0 C4'-C3'-C2' 100.127 -2.573 . 0.382 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.135 1 O4'-C1'-N19 113.541 5.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 O5'-C5'-C4' 112.978 1.984 . 0.249 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 1 C5'-C4'-C3' 109.195 -4.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 112.527 4.327 . 0.278 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 114.497 6.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.878 1 O4'-C1'-N19 115.067 6.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 100.06 -2.64 . 0.269 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 111.903 3.703 . 0.575 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 O4'-C1'-N19 111.945 3.745 . 0.364 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 C5'-C4'-C3' 110.263 -3.491 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.67 122.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.051 2.54 . . . . 0.0 115.355 170.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.81 177.88 51.84 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.664 1.126 . . . . 0.0 115.008 171.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.87 167.56 26.95 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 124.188 3.258 . . . . 0.0 112.821 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -145.26 140.28 27.72 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.672 1.589 . . . . 0.0 110.787 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -91.98 148.87 21.87 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.542 0.737 . . . . 0.0 110.605 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -73.98 152.02 40.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -73.11 24.88 0.06 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 21.7 m -152.3 161.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.703 2.401 . . . . 0.0 110.501 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -62.88 133.79 55.23 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.03 0.932 . . . . 0.0 113.017 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -72.49 -31.59 65.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.743 0.817 . . . . 0.0 112.674 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 62.03 -164.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.306 1.842 . . . . 0.0 112.363 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -66.2 169.03 7.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.867 1.267 . . . . 0.0 114.134 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -148.77 169.74 19.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.768 1.627 . . . . 0.0 111.882 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 51.6 tptt 54.68 61.81 8.89 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 126.173 1.789 . . . . 0.0 113.4 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.97 168.31 25.05 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.638 2.892 . . . . 0.0 111.493 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.0 tp -155.46 117.03 4.01 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.855 1.262 . . . . 0.0 110.011 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.5 mtp 65.55 -14.83 0.12 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.928 2.491 . . . . 0.0 115.717 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 82.9 p -165.11 169.99 15.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.722 2.009 . . . . 0.0 111.464 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.632 1.973 . . . . 0.0 112.56 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -71.22 -4.34 25.14 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -171.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 p -74.32 -14.46 60.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.777 1.631 . . . . 0.0 113.351 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -75.74 120.98 21.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.284 1.034 . . . . 0.0 111.131 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.81 144.44 35.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.315 1.046 . . . . 0.0 112.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.87 -25.65 0.46 Allowed Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -81.46 63.46 8.57 Favored 'Trans proline' 0 C--N 1.358 1.042 0 CA-C-N 123.628 2.331 . . . . 0.0 111.353 -172.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.44 -8.03 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.27 1.428 . . . . 0.0 113.944 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -142.74 128.65 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.713 2.005 . . . . 0.0 108.395 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.64 19.49 4.22 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.147 1.356 . . . . 0.0 114.686 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -161.63 177.29 10.12 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.555 1.178 . . . . 0.0 113.239 -169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -151.35 146.39 25.97 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.614 1.966 . . . . 0.0 110.21 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -145.44 120.75 10.24 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.213 1.405 . . . . 0.0 109.992 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.8 p -141.12 34.43 1.72 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.038 1.735 . . . . 0.0 112.04 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.4 ptm -65.38 -7.45 13.81 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.38 5.61 46.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.917 1.687 . . . . 0.0 114.142 -171.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.449 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.6 132.42 40.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 tpt85 -73.27 -13.12 61.07 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -112.34 -22.81 10.7 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.645 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 73.5 p -124.31 -12.06 7.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.013 1.325 . . . . 0.0 114.564 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 67.84 6.28 5.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.277 2.231 . . . . 0.0 113.706 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -73.11 146.18 45.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.629 1.172 . . . . 0.0 111.411 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -92.68 130.71 35.96 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.37 161.57 43.96 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.72 2.947 . . . . 0.0 111.123 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -71.24 150.07 45.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.736 0.814 . . . . 0.0 111.424 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -51.29 129.45 24.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.595 1.958 . . . . 0.0 111.931 -174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -160.21 160.42 32.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.721 1.608 . . . . 0.0 111.662 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.5 p -154.93 27.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.521 1.528 . . . . 0.0 112.042 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.56 158.71 26.75 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.689 1.595 . . . . 0.0 111.279 -174.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 51.7 mt 68.22 -178.54 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.083 2.153 . . . . 0.0 113.117 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.635 1.974 . . . . 0.0 112.015 -176.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-C2' 102.927 -2.481 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 O5'-C5'-C4' 113.307 2.219 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 O4'-C1'-N19 113.591 5.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C3'-C2'-C1' 104.425 3.25 . 0.21 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C3'-C2'-C1' 104.462 3.292 . 0.255 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.428 5.228 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.449 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 114.915 6.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.93 1 O4'-C1'-N19 115.351 7.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.664 -3.036 . 0.2 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C3'-C2'-C1' 104.872 3.747 . 0.646 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 1 O4'-C1'-N19 112.21 4.01 . 0.124 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER '7D dist 2o' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -166.56 171.32 11.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.016 1.727 . . . . 0.0 111.796 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.64 -134.91 14.72 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.876 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.34 152.82 75.3 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.724 2.95 . . . . 0.0 111.878 -173.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -153.69 8.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -80.75 158.18 25.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 166.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -76.74 169.75 17.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -75.69 39.2 0.16 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.081 1.752 . . . . 0.0 112.894 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -152.33 155.28 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 127.586 2.354 . . . . 0.0 110.831 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.78 -7.98 59.65 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -66.0 141.04 58.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.052 1.341 . . . . 0.0 112.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -160.62 161.45 32.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.689 1.595 . . . . 0.0 112.428 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.92 152.21 43.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.024 0.93 . . . . 0.0 112.841 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -132.67 8.92 4.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.721 . . . . 0.0 112.59 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -146.83 160.05 41.8 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.681 2.392 . . . . 0.0 110.27 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -57.14 167.45 3.32 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.237 3.291 . . . . 0.0 114.643 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 60.1 tp -89.69 125.98 35.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.663 1.185 . . . . 0.0 109.989 172.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 97.5 mtp -85.69 138.26 32.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.49 1.116 . . . . 0.0 111.516 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 22.9 p -84.99 137.88 32.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.48 1.112 . . . . 0.0 111.971 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.046 -176.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 -4.98 57.75 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.3 p -140.79 154.74 46.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.561 1.944 . . . . 0.0 111.056 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -142.82 11.91 1.84 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.932 1.293 . . . . 0.0 114.295 -173.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.84 28.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.264 1.826 . . . . 0.0 111.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -161.73 -40.94 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.574 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -67.2 113.66 2.93 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.284 1.99 . . . . 0.0 112.637 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 m -78.8 61.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.166 1.386 . . . . 0.0 110.451 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.49 137.16 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.173 1.789 . . . . 0.0 109.923 -169.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 65.72 3.0 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.269 1.414 . . . . 0.0 112.599 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -78.8 -7.34 57.75 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.812 1.245 . . . . 0.0 113.637 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -156.32 -31.83 0.09 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.248 1.819 . . . . 0.0 112.395 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -150.43 133.57 16.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.023 1.729 . . . . 0.0 109.78 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -106.64 142.13 36.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.174 -169.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -78.83 167.85 20.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 113.14 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.05 178.02 7.38 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.423 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -171.87 132.01 0.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -2.07 55.99 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -171.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.71 -24.19 11.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.934 1.293 . . . . 0.0 113.144 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 80.3 p -136.68 -12.99 1.74 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.392 1.477 . . . . 0.0 114.819 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 65.47 16.62 10.61 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.49 1.916 . . . . 0.0 113.926 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.15 142.25 54.39 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.182 0.993 . . . . 0.0 111.782 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -40.47 130.67 1.74 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.06 159.96 11.31 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.171 3.247 . . . . 0.0 114.285 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -68.42 162.25 25.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.227 1.411 . . . . 0.0 113.031 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 35.4 p -87.76 -4.51 58.89 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.266 1.826 . . . . 0.0 114.957 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -156.12 163.49 39.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.827 1.251 . . . . 0.0 111.782 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.2 t -126.1 120.06 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.657 1.583 . . . . 0.0 108.822 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.29 12.58 3.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.126 1.371 . . . . 0.0 112.09 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.9 mt -110.6 4.77 20.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.627 1.571 . . . . 0.0 113.176 -173.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.698 1.999 . . . . 0.0 112.139 -175.641 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 0 C3'-C2'-C1' 98.528 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O5'-C5'-C4' 114.05 2.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 1 O4'-C1'-N19 112.961 4.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O5'-C5'-C4' 112.92 1.943 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 O4'-C1'-N19 111.665 3.465 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 113.03 4.83 OUTLIER-EPSILON 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.423 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.175 3 O4'-C1'-N19 116.223 8.023 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.765 1 O4'-C1'-N19 114.812 6.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O4'-C1'-N19 112.092 3.892 . 0.074 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 2 O4'-C1'-N19 114.365 6.165 . 0.307 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 O4'-C1'-N19 112.301 4.101 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -159.93 158.91 31.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.792 1.637 . . . . 0.0 111.262 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.48 39.7 3.16 Favored Glycine 0 CA--C 1.544 1.858 0 CA-C-O 116.908 -2.051 . . . . 0.0 116.888 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.96 -18.46 21.51 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 121.882 2.841 . . . . 0.0 112.574 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -65.08 142.51 58.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.847 1.659 . . . . 0.0 112.305 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' A' ' 102' ' ' LEU . 38.6 ttt180 -96.12 -175.34 3.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.61 1.964 . . . . 0.0 109.507 178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.441 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.441 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.37 151.96 45.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -77.6 61.17 2.29 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 18.1 m -143.57 151.2 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.337 2.255 . . . . 0.0 111.124 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -89.07 -1.44 58.1 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -154.49 153.99 32.41 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.324 1.449 . . . . 0.0 111.909 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -141.69 12.91 2.1 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.694 1.597 . . . . 0.0 113.288 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -149.91 148.33 28.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.166 1.386 . . . . 0.0 113.332 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.38 172.75 10.66 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.359 1.864 . . . . 0.0 111.367 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.78 145.78 54.35 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 125.528 1.531 . . . . 0.0 111.348 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.29 147.24 47.06 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.441 2.761 . . . . 0.0 111.2 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.6 mt -116.11 3.37 13.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.03 1.332 . . . . 0.0 112.991 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 15.0 tpt -162.57 148.24 12.51 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.701 2.0 . . . . 0.0 110.38 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 48.2 m -69.49 130.77 43.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.306 1.043 . . . . 0.0 111.951 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 126.58 1.952 . . . . 0.0 112.822 -176.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m 65.38 23.67 12.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.258 1.423 . . . . 0.0 113.153 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 34.6 p -143.85 162.2 36.7 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.602 2.361 . . . . 0.0 110.916 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -150.59 28.57 0.71 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.606 1.562 . . . . 0.0 112.235 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.67 36.1 22.44 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 113.182 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.21 137.97 91.55 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.195 1.398 . . . . 0.0 112.119 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.22 134.72 21.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.32 2.68 . . . . 0.0 111.184 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -164.21 134.92 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.781 1.632 . . . . 0.0 109.754 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -165.63 149.56 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.467 1.507 . . . . 0.0 110.328 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.32 -176.3 44.31 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.443 1.02 . . . . 0.0 113.648 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 90.1 p -161.96 172.17 16.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.168 1.387 . . . . 0.0 112.042 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -155.51 147.07 22.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.151 1.38 . . . . 0.0 111.324 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -145.56 129.44 17.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.712 2.005 . . . . 0.0 109.474 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -147.63 140.19 24.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.431 1.493 . . . . 0.0 111.038 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.7 tpt -161.6 153.21 18.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.861 2.064 . . . . 0.0 109.061 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -68.36 129.3 39.5 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.998 0.919 . . . . 0.0 112.267 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.88 128.01 35.08 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -69.54 -16.77 63.5 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -103.17 -22.3 13.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.836 1.254 . . . . 0.0 113.709 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.6 p -124.8 -14.97 6.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.419 1.488 . . . . 0.0 114.287 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 69.28 15.04 8.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.139 2.176 . . . . 0.0 113.147 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -85.53 141.52 29.82 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.493 1.117 . . . . 0.0 111.594 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.15 142.37 66.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -51.06 150.43 13.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.44 3.426 . . . . 0.0 113.71 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 73.8 -27.13 0.19 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.195 2.598 . . . . 0.0 114.412 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 17.6 p -99.11 -21.91 15.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.052 1.341 . . . . 0.0 113.129 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -74.75 167.98 20.76 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.581 1.152 . . . . 0.0 113.75 173.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -162.4 133.91 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.709 1.604 . . . . 0.0 110.285 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -168.75 142.45 3.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.634 1.974 . . . . 0.0 108.801 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.2 pp -157.39 172.09 19.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.234 1.413 . . . . 0.0 111.971 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.387 1.875 . . . . 0.0 111.988 -177.447 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 2 C3'-C2'-C1' 97.413 -4.541 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 C5'-C4'-O4' 113.497 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.405 5.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C3'-C2'-C1' 103.494 2.215 . 0.334 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.075 3.875 . 0.306 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.297 -4.802 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 2 O4'-C1'-N19 113.474 5.274 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.545 4.345 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-O4' 113.132 2.808 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C3'-C2'-C1' 104.894 3.771 . 0.227 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.098 2.887 . 0.213 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O4'-C1'-N19 110.371 2.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -162.57 166.48 24.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.155 1.782 . . . . 0.0 110.918 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.93 -173.86 29.04 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 125.118 1.342 . . . . 0.0 113.914 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 127.75 10.49 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.73 2.953 . . . . 0.0 111.79 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -125.84 8.03 7.46 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.455 1.502 . . . . 0.0 112.782 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -136.4 144.39 44.5 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.684 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -62.96 156.96 23.0 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -74.86 100.65 4.14 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.02 0.928 . . . . 0.0 109.668 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.84 -11.6 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 115.732 1.752 . . . . 0.0 115.732 -166.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -90.88 -0.81 57.83 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.317 1.447 . . . . 0.0 113.16 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -149.82 -25.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.73 1.212 . . . . 0.0 114.155 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -138.89 115.69 10.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 111.634 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -147.16 171.18 15.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.193 2.197 . . . . 0.0 110.351 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -147.14 136.14 22.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.506 1.122 . . . . 0.0 111.794 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -76.34 -42.66 3.3 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.53 167.01 24.99 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.496 2.13 . . . . 0.0 111.976 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.82 174.78 14.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.029 1.731 . . . . 0.0 111.87 -174.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.0 ttp 71.58 29.87 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.358 1.863 . . . . 0.0 112.708 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 65.1 p -156.77 149.46 23.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.041 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.57 1.948 . . . . 0.0 110.253 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.7 p -83.73 -11.23 57.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.3 t -163.01 163.89 25.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.61 1.964 . . . . 0.0 110.579 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -162.09 143.81 10.99 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.054 1.741 . . . . 0.0 111.345 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.66 13.15 3.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.861 1.664 . . . . 0.0 113.509 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 56.43 60.68 7.82 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.279 1.832 . . . . 0.0 112.482 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.54 137.42 33.17 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.406 2.737 . . . . 0.0 111.536 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 p -82.49 11.81 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.961 1.305 . . . . 0.0 113.246 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -142.13 134.88 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.862 2.065 . . . . 0.0 108.941 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.43 -152.01 6.13 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.103 1.335 . . . . 0.0 113.103 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -155.49 166.93 32.01 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.136 1.374 . . . . 0.0 112.006 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -147.48 158.65 44.07 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.032 1.733 . . . . 0.0 111.455 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -161.45 172.61 16.17 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.942 2.097 . . . . 0.0 111.162 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 39.4 p -101.83 -7.59 22.38 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.971 1.308 . . . . 0.0 114.344 -172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.7 -16.08 45.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.3 -17.02 57.53 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.517 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.58 133.09 43.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.98 56.96 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.87 -32.28 8.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.599 1.159 . . . . 0.0 113.062 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.2 p -109.14 -18.73 13.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 70.45 6.2 5.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.452 2.301 . . . . 0.0 113.111 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -83.27 152.0 25.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.522 1.129 . . . . 0.0 111.935 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -46.88 138.94 6.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -64.59 157.53 54.89 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 124.434 3.422 . . . . 0.0 112.885 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -129.63 -178.29 4.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.182 1.793 . . . . 0.0 112.578 -173.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -61.46 149.95 37.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.418 1.487 . . . . 0.0 111.262 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -121.51 150.3 41.81 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.027 1.331 . . . . 0.0 111.754 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.13 103.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.454 1.101 . . . . 0.0 109.081 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -138.05 10.23 2.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.368 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.73 149.87 39.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.605 1.962 . . . . 0.0 110.213 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.199 1.8 . . . . 0.0 112.116 -177.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 3 C3'-C2'-C1' 97.491 -4.455 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.951 0 O5'-C5'-C4' 114.288 2.92 . 0.315 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 O4'-C1'-N19 112.5 4.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O5'-C5'-C4' 113.513 2.367 . 0.081 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 O4'-C1'-N19 112.653 4.453 . 0.298 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 113.144 4.944 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.517 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.429 -2.04 2 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.236 2 O4'-C1'-N19 114.923 6.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 112.086 3.886 . 0.104 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 2 O4'-C1'-N19 113.571 5.371 . 0.316 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 109.874 -3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 0 O5'-C5'-C4' 113.879 2.628 . 0.047 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -160.26 141.28 12.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.757 1.623 . . . . 0.0 111.192 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.71 179.13 40.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.515 1.055 . . . . 0.0 114.301 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.29 121.52 8.83 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.554 2.836 . . . . 0.0 110.513 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -78.44 115.8 18.4 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.523 0.729 . . . . 0.0 111.408 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -135.52 153.06 51.84 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.233 1.813 . . . . 0.0 110.553 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -67.39 164.61 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -80.46 52.01 1.55 Allowed 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.989 -1.069 . . . . 0.0 112.883 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 24.7 m -152.71 171.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 128.698 2.799 . . . . 0.0 110.199 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -152.46 167.23 29.44 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.879 1.271 . . . . 0.0 113.325 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -157.87 146.44 19.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.637 1.575 . . . . 0.0 110.992 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 127.86 34.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.422 1.089 . . . . 0.0 112.626 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -82.3 82.55 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.719 1.208 . . . . 0.0 110.118 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -83.31 -9.31 59.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -170.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -153.96 133.88 7.71 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.397 1.479 . . . . 0.0 110.672 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -57.43 -44.93 38.01 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.371 2.714 . . . . 0.0 113.363 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.5 tp 70.77 -27.37 0.17 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.466 2.706 . . . . 0.0 114.732 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.94 49.03 1.16 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.354 1.862 . . . . 0.0 111.963 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.4 m -78.56 -3.26 42.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.497 1.519 . . . . 0.0 114.768 -169.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.112 2.165 . . . . 0.0 111.826 -177.747 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.6 p -161.87 164.38 28.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.097 1.359 . . . . 0.0 111.939 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -144.53 168.42 20.18 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.309 1.844 . . . . 0.0 111.06 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -155.08 155.67 34.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.433 1.493 . . . . 0.0 111.922 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.76 -25.03 41.14 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.0 147.29 3.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 126.653 1.981 . . . . 0.0 110.642 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.53 167.56 22.55 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.899 3.066 . . . . 0.0 111.542 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -74.33 116.65 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.17 149.91 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.188 1.395 . . . . 0.0 110.878 -173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.53 -107.14 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.18 1.371 . . . . 0.0 111.786 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m 65.78 30.03 10.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.004 1.322 . . . . 0.0 113.611 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -150.32 -177.25 5.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.872 1.669 . . . . 0.0 112.495 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.91 170.47 14.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.184 1.794 . . . . 0.0 111.48 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -113.93 -166.74 1.12 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.481 1.912 . . . . 0.0 110.811 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.6 ptp -152.66 -154.02 0.51 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.838 1.255 . . . . 0.0 112.405 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.44 -170.67 0.85 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.621 1.968 . . . . 0.0 114.137 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' B' ' 44' ' ' TYR . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' B' ' 42' ' ' LEU . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -115.23 121.17 42.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -0.13 8.66 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -90.7 -22.19 21.25 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.69 1.196 . . . . 0.0 112.601 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 82.0 p -135.55 -23.11 1.44 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.356 1.462 . . . . 0.0 114.068 -171.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 72.78 22.46 3.14 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 128.456 2.702 . . . . 0.0 112.028 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -101.76 150.27 23.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.847 1.259 . . . . 0.0 111.478 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -74.29 155.05 88.13 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.91 150.86 81.49 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.349 3.366 . . . . 0.0 115.418 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -155.57 154.46 31.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.893 2.477 . . . . 0.0 109.691 169.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 51.1 p -91.08 -13.48 33.06 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.278 1.431 . . . . 0.0 113.248 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 71.59 23.45 3.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.096 2.158 . . . . 0.0 112.045 -171.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.97 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 127.294 2.238 . . . . 0.0 109.319 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -162.15 153.64 18.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.739 1.216 . . . . 0.0 111.48 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.39 -41.61 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 112.269 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.352 1.861 . . . . 0.0 112.058 -178.476 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.55 4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.979 0 C4'-C3'-C2' 99.73 -2.97 . 0.287 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 1 O4'-C1'-N19 112.368 4.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C3'-C2'-C1' 103.549 2.276 . 0.198 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.7 4.5 . 0.23 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C4'-C3' 109.068 2.549 . 0.31 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 3 O4'-C1'-N19 116.375 8.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.287 1 O4'-C1'-N19 114.647 6.447 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 112.532 4.332 . 0.075 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 1 O4'-C1'-N19 113.859 5.659 . 0.103 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 0 O4'-C1'-N19 110.557 2.357 . 0.028 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -158.92 132.29 7.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.456 1.502 . . . . 0.0 110.917 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.39 176.66 45.15 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.604 1.097 . . . . 0.0 114.057 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.99 -14.73 12.15 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.627 2.885 . . . . 0.0 114.598 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 66.17 -16.33 0.12 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.526 2.33 . . . . 0.0 115.706 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -106.52 146.21 30.89 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.449 1.499 . . . . 0.0 110.161 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 140' ' ' GLY . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 138' ' ' SER . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.69 152.87 44.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -77.89 18.88 0.44 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.8 m -157.22 155.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 127.386 2.274 . . . . 0.0 111.038 -169.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -89.09 0.4 56.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.646 1.179 . . . . 0.0 114.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.11 125.81 26.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.881 1.272 . . . . 0.0 112.041 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -162.82 174.96 11.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 112.882 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.01 142.33 50.32 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.664 1.585 . . . . 0.0 111.296 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -137.59 0.59 2.27 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.841 1.257 . . . . 0.0 114.317 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -140.52 -54.98 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 125.706 1.602 . . . . 0.0 112.813 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.38 139.77 35.43 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.6 2.2 . . . . 0.0 110.266 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.39 148.21 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.529 1.532 . . . . 0.0 109.478 -175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 95.4 mmm -75.5 -12.83 60.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.65 3.93 4.83 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.446 1.898 . . . . 0.0 114.443 175.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.251 0 C-N-CA 127.117 2.167 . . . . 0.0 111.996 -178.607 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 53.9 p -97.3 -5.04 37.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -63.75 128.38 35.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.656 1.582 . . . . 0.0 110.891 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -161.97 155.63 21.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.541 1.536 . . . . 0.0 111.386 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.22 13.5 2.21 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.566 1.546 . . . . 0.0 114.23 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.98 131.02 6.23 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 124.796 1.238 . . . . 0.0 110.672 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.49 148.92 30.25 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.168 2.578 . . . . 0.0 111.34 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.56 49.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.276 1.43 . . . . 0.0 112.953 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 0.88 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.49 1.516 . . . . 0.0 114.175 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.08 -3.79 61.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.819 1.199 . . . . 0.0 114.002 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -154.23 164.99 37.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.869 2.068 . . . . 0.0 109.779 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.07 141.64 15.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.007 0.923 . . . . 0.0 111.808 -174.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 71.16 161.62 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 128.058 2.543 . . . . 0.0 114.569 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -147.23 154.4 40.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.19 2.196 . . . . 0.0 109.592 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -138.8 137.87 37.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 111.155 -170.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.12 10.91 5.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.519 1.128 . . . . 0.0 113.879 -169.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.73 123.85 26.29 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.89 -17.36 64.24 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -107.03 -34.03 7.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 113.514 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.0 p -111.73 -15.25 13.46 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 73.54 7.41 5.09 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.925 2.49 . . . . 0.0 113.986 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.94 130.99 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.915 -1.115 . . . . 0.0 111.109 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.35 134.67 7.43 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.87 150.4 61.41 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.926 3.084 . . . . 0.0 111.112 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -65.59 -10.03 31.99 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.7 p -55.97 -23.43 32.3 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.332 1.453 . . . . 0.0 113.091 170.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -79.76 -19.51 48.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 p -178.52 116.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.961 2.104 . . . . 0.0 109.597 -174.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.62 18.07 10.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.353 1.061 . . . . 0.0 113.609 -171.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.97 29.53 0.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.63 1.572 . . . . 0.0 112.739 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.998 2.519 . . . . 0.0 111.288 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C3'-C2'-C1' 98.087 -3.792 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C5'-C4'-O4' 113.583 3.131 . 0.013 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 O4'-C1'-N19 114.132 5.932 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 103.885 2.651 . 0.026 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 O4'-C1'-N19 112.216 4.016 . 0.41 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 2 O4'-C1'-N19 114.05 5.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 O4'-C1'-N19 112.423 4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.24 1 O4'-C1'-N19 114.402 6.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.424 1 O4'-C1'-N19 113.553 5.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 1 C5'-C4'-C3' 107.344 -5.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.296 -3.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -160.39 148.53 16.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.782 1.633 . . . . 0.0 110.813 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.94 136.92 19.85 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-O 118.707 -1.052 . . . . 0.0 112.082 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.96 132.51 18.43 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.202 2.601 . . . . 0.0 111.488 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -77.34 -0.46 25.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.393 1.077 . . . . 0.0 113.838 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 69.38 167.84 0.29 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.588 2.355 . . . . 0.0 110.661 -169.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.69 153.3 35.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -77.01 38.54 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -167.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.42 155.06 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 127.276 2.23 . . . . 0.0 110.714 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.68 -17.37 63.48 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -66.3 134.35 52.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.69 1.196 . . . . 0.0 111.515 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -149.87 4.79 0.57 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -170.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.24 138.19 53.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.395 1.078 . . . . 0.0 111.685 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.84 8.87 3.04 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 114.027 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -64.4 126.11 89.85 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.021 -1.049 . . . . 0.0 111.758 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.11 137.69 21.8 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.981 2.454 . . . . 0.0 110.211 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.0 mt -116.77 5.68 13.13 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.802 1.241 . . . . 0.0 112.847 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.98 159.09 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.007 2.123 . . . . 0.0 110.633 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 52.3 p -88.02 3.93 47.02 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 125.811 1.644 . . . . 0.0 114.116 -179.309 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.6 m -147.76 154.22 40.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.956 1.302 . . . . 0.0 111.697 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -63.9 133.45 53.31 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.066 1.347 . . . . 0.0 110.543 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -144.5 15.11 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.909 1.284 . . . . 0.0 114.185 -171.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.8 154.68 30.3 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.952 1.701 . . . . 0.0 111.346 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.81 133.44 3.51 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.549 1.54 . . . . 0.0 109.642 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.86 151.94 40.88 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.411 2.741 . . . . 0.0 111.617 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.68 159.99 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.966 1.707 . . . . 0.0 110.818 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.52 120.96 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.961 1.304 . . . . 0.0 109.324 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 -27.69 2.79 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.672 1.606 . . . . 0.0 113.999 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -68.62 4.54 1.37 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.745 2.418 . . . . 0.0 115.665 -170.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 20.22 1.38 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.932 1.693 . . . . 0.0 113.374 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -106.08 -54.91 2.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.493 1.117 . . . . 0.0 111.945 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -134.76 -12.0 2.3 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -172.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 42.3 tpp -161.1 138.29 8.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.026 1.33 . . . . 0.0 111.106 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -108.4 -32.09 7.57 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.79 1.236 . . . . 0.0 113.082 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.5 138.24 44.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.94 -21.72 63.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -172.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -107.08 -33.76 7.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.607 1.163 . . . . 0.0 113.444 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.5 p -101.91 -19.52 15.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.288 1.035 . . . . 0.0 113.216 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 67.53 10.82 8.03 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -83.01 146.38 28.78 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.319 1.048 . . . . 0.0 111.598 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.98 131.32 22.54 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.9 151.61 48.04 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 124.232 3.288 . . . . 0.0 112.611 171.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -55.13 123.87 15.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.194 0.998 . . . . 0.0 111.935 -175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -63.15 -178.28 0.23 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.853 2.461 . . . . 0.0 111.067 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -59.37 18.98 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 118.693 2.849 . . . . 0.0 118.693 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.36 107.3 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.351 2.261 . . . . 0.0 105.937 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -122.89 34.01 5.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.755 1.222 . . . . 0.0 111.933 -168.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 29.1 tp -70.66 -8.18 49.97 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.125 1.37 . . . . 0.0 112.766 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.415 2.686 . . . . 0.0 110.95 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . 0.49 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 O4'-C1'-N19 111.998 3.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O5'-C5'-C4' 113.556 2.397 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 1 O4'-C1'-N19 113.481 5.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O5'-C5'-C4' 113.297 2.212 . 0.055 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 O4'-C1'-N19 112.401 4.201 . 0.281 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 110.561 2.361 . 0.43 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 114.322 6.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 1 O4'-C1'-N19 115.136 6.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.795 -2.905 . 0.174 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 2 O4'-C1'-N19 113.198 4.998 . 0.29 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.555 3.355 . 0.072 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.701 -0.559 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -159.4 145.19 16.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 111.143 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.16 176.17 45.25 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.68 1.133 . . . . 0.0 113.921 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.71 153.33 59.42 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.801 3.001 . . . . 0.0 112.869 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -79.67 13.05 2.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.899 1.68 . . . . 0.0 114.635 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 75.68 168.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.836 2.455 . . . . 0.0 111.272 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.46 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -66.66 161.78 22.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -71.01 22.79 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.1 m -155.12 155.56 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 128.737 2.815 . . . . 0.0 109.454 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -154.53 158.97 40.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -167.76 178.54 5.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.538 2.335 . . . . 0.0 110.829 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 154.89 37.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.632 1.173 . . . . 0.0 113.199 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.08 -32.67 63.35 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.04 0.936 . . . . 0.0 113.49 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.71 5.21 2.13 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.595 2.358 . . . . 0.0 114.989 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -166.06 141.3 3.91 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 126.126 1.77 . . . . 0.0 110.853 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.75 155.8 35.85 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.466 2.777 . . . . 0.0 112.546 170.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 96.8 mt -132.52 151.05 52.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.257 1.423 . . . . 0.0 110.97 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 96.3 mtp -79.81 -13.16 59.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.157 0.983 . . . . 0.0 113.491 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 67.8 p -166.95 158.56 12.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.54 1.936 . . . . 0.0 111.103 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 126.516 1.926 . . . . 0.0 112.73 -176.701 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -84.97 -12.44 53.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.46 -17.13 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 130.427 3.491 . . . . 0.0 117.233 172.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -163.83 -44.37 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.246 1.418 . . . . 0.0 113.444 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.29 20.98 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.645 1.178 . . . . 0.0 112.616 -172.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.8 160.49 30.01 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.867 1.667 . . . . 0.0 111.539 -175.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.55 150.91 73.06 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.821 3.014 . . . . 0.0 112.715 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.45 -15.29 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . 0.254 35.1 m 50.44 29.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.623 2.369 . . . . 0.0 114.685 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.7 -177.81 26.69 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.784 1.659 . . . . 0.0 113.145 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -163.18 166.15 23.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.759 1.223 . . . . 0.0 112.47 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -159.71 136.94 9.59 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.098 1.759 . . . . 0.0 109.781 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -156.66 137.32 13.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.184 1.393 . . . . 0.0 111.083 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 69.8 p -146.34 168.43 21.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.245 1.818 . . . . 0.0 110.721 -171.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 24.4 ptp -141.61 5.67 1.81 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -151.76 133.27 14.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.758 1.223 . . . . 0.0 111.896 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.442 ' CZ ' " H1'" ' C' ' 7' ' ' ' G' . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.54 123.84 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 9.27 8.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -113.32 -31.0 6.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.644 1.577 . . . . 0.0 113.307 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -116.35 -19.97 9.93 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 66.08 28.99 10.18 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.053 2.541 . . . . 0.0 112.831 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -103.46 162.19 13.24 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.143 0.977 . . . . 0.0 112.975 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -48.92 130.61 14.9 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.19 164.14 29.04 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.526 3.484 . . . . 0.0 114.003 -169.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -64.55 156.31 30.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.23 1.412 . . . . 0.0 112.835 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 73.0 p -84.7 -154.04 0.17 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.021 2.129 . . . . 0.0 111.538 -173.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -67.2 -7.31 22.82 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.29 1.436 . . . . 0.0 113.96 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.69 128.16 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.292 1.437 . . . . 0.0 109.494 170.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -140.32 14.85 2.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.274 1.03 . . . . 0.0 113.198 -168.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.61 -0.38 46.75 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.732 1.213 . . . . 0.0 113.499 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.724 2.41 . . . . 0.0 111.227 -178.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . 0.46 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 O4'-C1'-N19 111.986 3.786 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 O5'-C5'-C4' 114.018 2.727 . 0.261 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.546 1.992 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.461 3.29 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 1 O4'-C1'-N19 112.752 4.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 113.902 5.702 . 0.322 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.442 " H1'" ' CZ ' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 O4'-C1'-N19 115.865 7.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.927 1 O4'-C1'-N19 115.145 6.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C5'-C4'-C3' 111.853 -2.431 . 0.18 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C5'-C4'-C3' 108.699 -4.534 . 0.227 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.616 3.416 . 0.212 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 O4'-C1'-N19 111.237 3.037 . 0.218 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.64 163.92 10.14 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.887 1.675 . . . . 0.0 111.689 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.18 -179.56 48.87 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.631 1.11 . . . . 0.0 113.638 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.5 137.01 48.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.653 2.902 . . . . 0.0 110.625 176.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -91.58 2.49 56.42 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.064 0.946 . . . . 0.0 113.273 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -93.21 140.18 29.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.408 2.283 . . . . 0.0 109.323 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -60.03 141.55 55.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -77.49 39.27 0.26 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -167.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.8 142.76 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.455 2.302 . . . . 0.0 110.362 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -92.67 -10.23 38.01 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -163.68 144.72 8.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.989 1.716 . . . . 0.0 110.717 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -162.75 165.75 25.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.728 1.611 . . . . 0.0 112.726 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -157.85 149.58 21.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.68 1.592 . . . . 0.0 112.153 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.0 162.86 18.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.084 1.753 . . . . 0.0 111.516 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.7 131.19 5.07 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.396 1.478 . . . . 0.0 110.813 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -73.95 140.39 28.56 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.015 2.477 . . . . 0.0 111.065 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.6 tp -162.07 124.86 2.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.196 1.398 . . . . 0.0 110.047 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.1 mmm -105.77 -3.39 22.09 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.413 1.085 . . . . 0.0 113.807 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 15.2 m -78.73 -9.91 59.58 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 128.681 2.792 . . . . 0.0 112.288 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -166.38 -39.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.3 p -144.53 170.6 15.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.534 1.934 . . . . 0.0 111.163 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -152.92 156.75 39.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.422 1.489 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.49 23.25 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.316 1.846 . . . . 0.0 109.934 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.08 147.86 12.96 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.519 1.128 . . . . 0.0 111.4 -169.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.03 75.12 4.72 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.843 3.029 . . . . 0.0 111.093 -173.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.39 117.32 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.628 1.571 . . . . 0.0 108.965 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 m -151.04 156.84 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.738 2.015 . . . . 0.0 110.333 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.9 10.43 84.06 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.046 0.831 . . . . 0.0 114.348 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.2 p -80.77 0.71 33.54 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.889 1.676 . . . . 0.0 114.34 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -154.03 145.31 22.96 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.298 1.839 . . . . 0.0 110.808 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -154.0 135.26 14.07 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.207 1.803 . . . . 0.0 110.401 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -74.86 -26.44 59.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.858 1.263 . . . . 0.0 112.643 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.6 ttt 69.35 -31.39 0.21 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.745 2.818 . . . . 0.0 114.77 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -148.31 -174.45 4.59 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.552 2.341 . . . . 0.0 110.008 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -166.04 136.63 3.53 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.45 -29.98 66.59 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -107.84 -36.9 6.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 113.45 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.3 p -109.74 -21.89 12.18 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 60.3 25.12 14.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.431 1.892 . . . . 0.0 113.82 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.47 153.38 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -72.8 134.2 81.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -59.31 157.1 32.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.952 3.101 . . . . 0.0 113.236 173.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.05 155.34 40.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.235 1.014 . . . . 0.0 113.082 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 6.0 t -82.21 176.13 9.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.503 1.521 . . . . 0.0 110.668 169.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 49.6 t30 67.02 -30.5 0.16 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.388 2.675 . . . . 0.0 115.418 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.31 133.44 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.097 2.159 . . . . 0.0 108.922 174.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -152.19 18.92 0.66 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.839 0.856 . . . . 0.0 112.608 -169.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.88 140.31 15.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.51 1.524 . . . . 0.0 110.507 -174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.266 1.826 . . . . 0.0 112.012 -178.344 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 N19-C1'-C2' 118.527 3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 0 C5'-C4'-C3' 110.691 -3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 O4'-C1'-N19 112.582 4.382 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.543 -3.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C4'-C3' 109.189 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 O4'-C1'-N19 114.245 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 1 O4'-C1'-N19 113.508 5.308 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.411 1 O4'-C1'-N19 112.903 4.703 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C3'-C2'-C1' 105.181 4.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 1 O4'-C1'-N19 112.846 4.646 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 O4'-C1'-N19 113.67 5.47 . 0.054 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 C5'-C4'-C3' 111.649 -2.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.21 123.11 25.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.411 1.085 . . . . 0.0 111.565 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.3 -167.37 39.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.072 1.32 . . . . 0.0 114.795 -173.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 -36.79 1.8 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.437 2.758 . . . . 0.0 112.545 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 43.23 52.42 5.61 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.341 1.856 . . . . 0.0 114.284 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -144.37 157.39 44.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.41 163.28 4.11 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -72.83 148.26 44.65 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 111.125 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 17.0 m -151.76 165.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.435 1.894 . . . . 0.0 111.258 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.79 119.03 10.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.769 -0.582 . . . . 0.0 109.987 168.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -58.48 132.66 54.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.789 0.836 . . . . 0.0 111.753 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -81.78 88.92 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -169.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.44 -15.41 62.59 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -151.52 -32.73 0.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -52.27 -31.49 6.86 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.84 -24.88 60.76 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.219 2.613 . . . . 0.0 114.78 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.2 tp -163.61 106.74 0.98 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.98 1.312 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.2 164.74 27.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 111.842 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.1 m -139.56 6.72 2.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -170.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.66 1.984 . . . . 0.0 113.104 -172.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.5 m -123.57 10.11 9.07 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -159.96 141.16 12.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.579 2.351 . . . . 0.0 108.343 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -156.59 145.32 20.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.65 1.18 . . . . 0.0 112.148 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.73 136.73 12.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.721 2.008 . . . . 0.0 109.205 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -143.36 145.49 32.26 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.565 1.146 . . . . 0.0 111.379 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.1 167.9 21.2 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.03 3.153 . . . . 0.0 112.381 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.88 135.49 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.695 1.598 . . . . 0.0 109.725 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -164.94 149.33 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.318 1.447 . . . . 0.0 110.719 -171.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.85 -155.36 14.89 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.859 1.219 . . . . 0.0 113.298 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -158.48 159.55 35.77 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.953 1.701 . . . . 0.0 111.447 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -121.28 140.1 52.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.053 1.341 . . . . 0.0 111.405 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -162.08 138.81 8.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.811 2.045 . . . . 0.0 108.824 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.9 m -130.87 131.98 44.88 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 109.479 -171.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.78 99.76 6.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.369 0.668 . . . . 0.0 110.104 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.89 -79.67 0.44 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.057 1.343 . . . . 0.0 108.192 168.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . 0.419 ' CE1' " H1'" ' C' ' 7' ' ' ' G' . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.52 128.74 34.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -72.63 -16.85 61.71 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.17 -23.56 14.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.272 1.029 . . . . 0.0 113.524 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 61.1 p -127.34 -12.46 5.65 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.627 1.571 . . . . 0.0 114.082 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 69.07 8.42 6.83 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.143 2.177 . . . . 0.0 113.471 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -66.95 149.22 50.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.84 1.256 . . . . 0.0 111.07 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.6 131.36 6.44 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.74 149.73 90.12 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.697 2.932 . . . . 0.0 111.089 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -57.24 113.92 1.95 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.335 1.054 . . . . 0.0 113.464 -169.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 p -96.93 -35.6 10.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.334 1.854 . . . . 0.0 111.55 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -176.34 157.68 1.75 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 128.706 2.802 . . . . 0.0 110.055 169.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -142.84 131.49 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.664 1.586 . . . . 0.0 108.673 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -81.99 -36.22 28.11 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 tt -159.09 -70.92 0.08 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.888 1.275 . . . . 0.0 110.1 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.095 2.158 . . . . 0.0 111.39 -177.674 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 N19-C1'-C2' 118.025 2.891 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O5'-C5'-C4' 113.304 2.217 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 1 O4'-C1'-N19 113.183 4.983 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C4'-C3' 108.953 2.467 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 O4'-C1'-N19 112.449 4.249 . 0.137 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 1 O4'-C1'-N19 112.783 4.583 . 0.199 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.419 " H1'" ' CE1' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 114.939 6.739 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 2 O4'-C1'-N19 114.092 5.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.774 3.574 . 0.555 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.351 1 C5'-C4'-C3' 107.771 -5.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 112.076 3.876 . 0.183 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 C5'-C4'-C3' 111.568 -2.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.42 4.82 22.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.481 1.512 . . . . 0.0 113.308 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.09 -139.99 11.04 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.745 1.641 . . . . 0.0 111.551 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.75 152.01 37.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.966 3.11 . . . . 0.0 112.9 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -139.41 136.47 34.72 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.136 1.374 . . . . 0.0 110.628 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -103.37 133.88 47.68 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.166 0.986 . . . . 0.0 110.758 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.16 141.22 58.16 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -77.43 50.41 0.79 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.4 m -146.57 157.66 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.924 2.089 . . . . 0.0 111.391 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -145.03 6.62 1.17 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.488 1.515 . . . . 0.0 113.754 -176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 161.63 28.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.465 1.906 . . . . 0.0 111.777 -169.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 43.3 tttm 64.25 16.13 9.88 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.738 1.615 . . . . 0.0 113.903 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -0.38 52.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -160.92 147.29 14.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.347 1.859 . . . . 0.0 110.994 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -163.27 134.47 3.65 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.719 1.608 . . . . 0.0 111.093 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.76 121.43 7.64 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.881 2.387 . . . . 0.0 109.348 170.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 55.8 tp -159.44 137.2 10.09 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 110.637 -171.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -135.02 18.62 3.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.293 1.437 . . . . 0.0 112.566 -170.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 78.1 p -163.08 177.18 9.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.895 1.678 . . . . 0.0 111.724 -169.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.202 1.801 . . . . 0.0 112.059 -177.701 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 p -86.68 -7.47 58.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -139.58 165.55 26.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 0.0 111.061 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -156.2 139.18 15.38 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 0.0 110.812 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.5 14.27 11.9 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.266 1.427 . . . . 0.0 114.054 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.55 -32.73 2.31 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.499 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.43 139.56 71.58 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.117 2.545 . . . . 0.0 112.062 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 m -149.06 153.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.786 1.634 . . . . 0.0 110.971 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.33 -39.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.164 1.386 . . . . 0.0 112.603 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.82 -149.77 38.54 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.027 0.822 . . . . 0.0 113.593 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -162.67 176.76 10.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.209 1.804 . . . . 0.0 110.527 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -155.39 137.32 14.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.98 1.312 . . . . 0.0 111.949 -176.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.52 125.4 5.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.908 2.083 . . . . 0.0 108.876 172.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.6 p -148.72 152.0 35.87 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.789 1.236 . . . . 0.0 111.826 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.1 ttt -162.66 139.08 7.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.779 2.032 . . . . 0.0 109.609 174.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.88 156.3 16.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.196 0.998 . . . . 0.0 111.559 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -169.35 123.89 0.82 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -70.59 -21.38 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -98.13 -36.08 10.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.228 1.411 . . . . 0.0 113.151 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -103.44 -26.67 12.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.81 0.844 . . . . 0.0 112.623 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 58.34 40.14 24.72 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.752 1.621 . . . . 0.0 113.162 166.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.97 -126.71 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.248 1.019 . . . . 0.0 111.885 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' C8 ' ' C' ' 11' ' ' ' G' . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -41.74 113.59 1.17 Allowed Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -66.45 165.24 25.62 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.682 2.921 . . . . 0.0 113.758 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -134.45 155.35 50.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.838 2.055 . . . . 0.0 109.962 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -53.61 124.84 16.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.112 1.765 . . . . 0.0 111.362 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -144.7 -0.73 0.92 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -169.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 25.1 t 69.84 -56.99 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 128.099 2.559 . . . . 0.0 112.361 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -164.54 136.23 4.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.099 1.759 . . . . 0.0 109.643 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -153.53 126.42 8.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.284 1.434 . . . . 0.0 109.446 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.283 1.833 . . . . 0.0 112.033 -177.43 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 3 O4'-C1'-N19 112.91 4.71 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 0 C4'-C3'-C2' 99.684 -3.016 . 0.275 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 O4'-C1'-N19 112.621 4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C5'-C4'-C3' 109.568 -3.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O4'-C1'-N19 111.828 3.628 . 0.131 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.743 4.543 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 1 O4'-C1'-N19 113.683 5.483 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.578 3 O4'-C1'-N19 114.569 6.369 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C5'-C4'-C3' 112.423 -2.051 . 0.159 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 109.719 -3.854 . 0.247 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.403 ' C8 ' ' CZ ' ' B' ' 80' ' ' PHE . . . . . . . . 0 O4'--C4' 1.431 -1.858 1 O4'-C1'-N19 113.622 5.422 . 0.03 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.121 2.921 . 0.296 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.94 174.27 15.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.075 1.75 . . . . 0.0 111.639 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.71 87.97 0.55 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-O 118.134 -1.37 . . . . 0.0 112.027 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.6 156.15 53.96 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.587 2.858 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -146.87 18.21 1.26 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -107.05 143.91 34.49 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.733 1.213 . . . . 0.0 108.769 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.4 ' ND2' ' H41' ' C' ' 3' ' ' ' C' . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.53 149.32 33.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.403 HH22 " H2'" ' C' ' 7' ' ' ' G' . 59.3 mtp180 -77.88 58.68 1.95 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.111 0.965 . . . . 0.0 112.414 -170.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.75 150.51 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 127.869 2.468 . . . . 0.0 110.342 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -77.38 -10.8 59.67 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -160.2 161.87 33.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.383 1.473 . . . . 0.0 113.15 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.47 141.29 9.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.108 1.763 . . . . 0.0 110.932 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.2 154.51 25.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.648 1.579 . . . . 0.0 112.312 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -163.88 152.7 13.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.105 1.762 . . . . 0.0 111.22 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -157.35 134.69 6.87 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 125.1 1.36 . . . . 0.0 111.247 -177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.11 141.5 98.19 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.597 2.865 . . . . 0.0 112.612 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.7 1.43 13.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 0.0 113.127 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.4 mtt -147.13 156.19 42.78 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.679 1.992 . . . . 0.0 110.816 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.9 m -76.62 -7.95 56.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.77 2.028 . . . . 0.0 110.346 -177.3 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 m -58.39 140.99 52.71 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.49 1.116 . . . . 0.0 112.748 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -101.29 4.58 41.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.169 1.388 . . . . 0.0 113.621 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.46 -30.24 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.236 2.614 . . . . 0.0 112.932 -169.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.54 -28.87 33.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.918 1.287 . . . . 0.0 112.164 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -141.18 122.12 8.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.772 1.629 . . . . 0.0 110.367 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -66.5 144.72 74.21 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.48 2.787 . . . . 0.0 111.396 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.24 91.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.71 1.204 . . . . 0.0 108.261 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -155.43 153.56 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 127.181 2.192 . . . . 0.0 110.237 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.23 162.39 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.272 0.939 . . . . 0.0 114.11 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.3 p -167.4 165.78 14.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.865 1.666 . . . . 0.0 111.944 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 72.71 161.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.714 2.406 . . . . 0.0 113.802 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.9 138.47 9.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.062 1.745 . . . . 0.0 111.161 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -151.1 157.36 42.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.403 1.881 . . . . 0.0 110.687 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -58.19 142.11 48.47 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.703 1.201 . . . . 0.0 111.723 175.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -80.29 67.01 5.98 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 112.249 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.15 120.87 0.52 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -69.42 -2.19 10.4 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -104.7 -17.62 14.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -139.22 -24.24 0.88 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -174.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 67.05 20.02 10.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.168 2.187 . . . . 0.0 113.144 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -91.65 141.29 28.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.958 1.303 . . . . 0.0 112.332 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -50.34 149.22 5.62 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.96 133.74 57.75 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.291 2.66 . . . . 0.0 111.467 172.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -156.94 171.13 21.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.678 1.591 . . . . 0.0 112.596 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 10.9 p -67.61 131.71 46.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.412 1.085 . . . . 0.0 108.753 168.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -163.99 164.03 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.775 1.23 . . . . 0.0 111.918 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 21.8 m -143.13 148.64 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.933 1.693 . . . . 0.0 110.927 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -94.98 -3.48 48.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.356 1.063 . . . . 0.0 112.914 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -158.23 139.15 13.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.978 1.711 . . . . 0.0 110.089 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.198 1.799 . . . . 0.0 112.067 -178.1 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 98.408 -3.436 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O5'-C5'-C4' 114.161 2.83 . 0.041 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . 0.4 ' H41' ' ND2' ' A' ' 134' ' ' ASN . . . . . . . . 0 C5'--C4' 1.544 2.591 1 O4'-C1'-N19 112.775 4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 111.527 3.327 . 0.243 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 112.429 4.229 . 0.251 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 O4'-C1'-N19 113.528 5.328 . 0.272 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.403 " H2'" HH22 ' A' ' 177' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 2.358 1 O4'-C1'-N19 114.159 5.959 . 0.048 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 2 O4'-C1'-N19 113.159 4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . 0.413 HO2' " C5'" ' C' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C3'-C2'-C1' 104.89 3.767 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . 0.413 " C5'" HO2' ' C' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.441 2 O4'-C1'-N19 113.422 5.222 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-C3' 109.622 -3.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 C5'-C4'-C3' 111.07 -2.954 . 0.444 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.2 -14.27 36.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.122 1.369 . . . . 0.0 114.334 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.82 129.95 2.41 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 125.691 1.615 . . . . 0.0 112.996 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.99 142.45 17.35 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.263 2.642 . . . . 0.0 110.813 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.55 11.66 1.55 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -118.23 146.09 44.52 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.963 1.705 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -149.08 142.28 25.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -78.28 83.28 4.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.838 -0.539 . . . . 0.0 111.838 -169.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.1 m -136.51 167.43 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.637 1.975 . . . . 0.0 111.42 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -153.35 172.39 17.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.358 1.463 . . . . 0.0 113.007 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 70.23 133.73 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.546 2.738 . . . . 0.0 113.043 -174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.2 134.96 55.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.531 1.133 . . . . 0.0 112.423 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -97.46 168.03 10.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.022 1.329 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -155.71 158.78 38.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.701 1.6 . . . . 0.0 111.618 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.55 142.36 94.09 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 123.682 0.793 . . . . 0.0 112.432 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -73.1 161.59 42.9 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.374 2.716 . . . . 0.0 111.146 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 99.4 mt -139.61 127.1 21.57 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.549 1.54 . . . . 0.0 109.465 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 11.6 ttt 65.42 19.08 11.53 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.89 1.676 . . . . 0.0 112.718 -173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 92.8 p -164.17 175.23 10.37 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.642 1.977 . . . . 0.0 111.204 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.648 1.979 . . . . 0.0 112.704 -178.237 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 p -63.93 -16.31 61.18 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 20.3 p -59.37 -17.99 34.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.417 2.287 . . . . 0.0 113.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -79.28 -2.51 41.62 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 171.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.39 -131.69 0.06 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.776 2.031 . . . . 0.0 109.591 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.47 127.97 3.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.86 1.264 . . . . 0.0 111.331 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -64.78 156.69 60.33 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.771 2.981 . . . . 0.0 112.865 171.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.35 133.2 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 110.159 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.53 141.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.735 1.614 . . . . 0.0 110.532 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.72 147.36 18.74 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.763 1.173 . . . . 0.0 112.74 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -134.02 8.57 3.78 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -170.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -145.37 162.62 36.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.182 1.793 . . . . 0.0 111.609 -175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -134.56 142.73 47.05 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.228 1.811 . . . . 0.0 110.594 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.7 p -146.94 170.74 16.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.015 1.726 . . . . 0.0 111.523 -169.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtt -137.77 149.13 46.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.827 1.651 . . . . 0.0 110.197 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.69 25.24 5.05 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.381 1.072 . . . . 0.0 113.46 -169.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -163.86 135.26 4.67 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -63.58 -21.71 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -88.43 -22.68 23.59 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.957 -1.089 . . . . 0.0 112.163 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 81.3 p -142.99 -33.35 0.45 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -169.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 63.94 23.01 13.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.523 1.929 . . . . 0.0 112.329 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -90.37 166.56 13.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.486 1.115 . . . . 0.0 113.339 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.402 ' CE2' " H1'" ' C' ' 9' ' ' ' G' . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -59.51 136.11 89.16 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.3 142.21 69.09 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.986 3.124 . . . . 0.0 113.471 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -69.17 138.28 54.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.458 1.103 . . . . 0.0 111.779 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 5.9 t -76.63 -176.36 3.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.433 1.493 . . . . 0.0 111.691 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.04 72.31 0.42 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.533 1.533 . . . . 0.0 112.403 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.99 59.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.191 1.796 . . . . 0.0 110.499 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -160.25 139.76 11.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.84 1.656 . . . . 0.0 109.542 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 57.2 tp -157.19 139.2 14.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.288 1.435 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.286 1.834 . . . . 0.0 112.044 -178.259 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 2 O4'-C1'-N19 112.83 4.63 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 C4'-C3'-C2' 99.514 -3.186 . 0.198 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O5'-C5'-C4' 113.611 2.436 . 0.023 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 112.359 4.159 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C3'-C2'-C1' 105.196 4.106 . 0.11 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . 0.403 HO2' " C5'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.39 1 O4'-C1'-N19 114.844 6.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . 0.403 " C5'" HO2' ' C' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 106.179 5.199 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . 0.402 " H1'" ' CE2' ' B' ' 78' ' ' TYR . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C3'-C2'-C1' 104.803 3.671 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 2 C3'-C2'-C1' 105.874 4.861 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.123 1 C5'-C4'-C3' 108.244 -4.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.353 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -162.68 143.23 9.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.69 1.996 . . . . 0.0 111.338 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.51 8.36 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-O 118.593 -1.115 . . . . 0.0 113.685 174.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -86.76 142.6 6.82 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.985 3.123 . . . . 0.0 110.831 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.6 mmt-85 -145.13 158.85 43.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -148.41 -42.19 0.16 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.698 1.199 . . . . 0.0 113.949 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -82.52 168.7 17.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -78.29 58.66 2.14 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.4 145.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 127.065 2.146 . . . . 0.0 109.97 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -77.6 -13.53 59.88 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -173.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -161.4 158.37 26.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.693 1.597 . . . . 0.0 112.891 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -148.29 156.67 42.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.474 1.91 . . . . 0.0 111.033 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -158.02 157.35 32.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.487 1.515 . . . . 0.0 112.544 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -162.55 157.37 22.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.994 1.718 . . . . 0.0 111.368 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -158.95 -38.31 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -62.49 157.9 43.93 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 123.161 2.574 . . . . 0.0 113.094 175.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.0 tp -156.15 141.76 17.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.307 1.443 . . . . 0.0 110.213 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -143.15 153.03 42.45 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 111.106 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.8 m -66.78 139.2 57.78 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 112.713 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.61 1.964 . . . . 0.0 111.801 -177.414 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m -80.65 -9.44 59.79 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.2 t -165.27 163.66 20.04 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.784 2.033 . . . . 0.0 110.464 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -163.22 156.09 18.82 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.91 1.684 . . . . 0.0 112.504 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.47 166.93 21.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.41 1.084 . . . . 0.0 111.608 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -159.82 -41.19 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 CA-C-O 117.257 -1.354 . . . . 0.0 113.978 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -66.16 141.34 62.86 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.758 2.306 . . . . 0.0 112.476 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 m -148.53 144.03 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.098 1.759 . . . . 0.0 110.16 177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.66 142.22 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.26 1.424 . . . . 0.0 110.751 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.73 144.34 16.35 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.13 1.348 . . . . 0.0 112.185 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.7 p -163.47 142.52 8.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.174 1.39 . . . . 0.0 110.936 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 67.61 -34.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.908 2.483 . . . . 0.0 113.89 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.25 134.75 14.35 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.141 2.576 . . . . 0.0 108.964 173.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 49.2 m -136.83 133.89 36.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.152 1.781 . . . . 0.0 108.096 -175.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -149.19 24.88 0.91 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.07 0.16 10.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -157.91 122.97 4.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -10.65 59.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -107.99 -29.55 8.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.823 1.249 . . . . 0.0 113.503 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.6 p -119.61 -20.11 7.84 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.73 14.64 9.24 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.46 1.904 . . . . 0.0 113.286 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -73.27 146.7 45.19 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.141 -0.974 . . . . 0.0 110.311 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -71.72 121.56 84.81 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -76.36 178.42 7.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 124.065 3.177 . . . . 0.0 111.056 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 104.07 0.52 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 99.1 m -94.51 132.66 38.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.435 1.494 . . . . 0.0 110.867 -168.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -143.68 152.48 41.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.063 1.745 . . . . 0.0 110.617 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.63 179.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 127.177 2.191 . . . . 0.0 110.517 -175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.36 -19.03 65.77 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 47.7 tp -85.32 -29.81 24.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.835 1.254 . . . . 0.0 113.024 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.7 2.0 . . . . 0.0 112.047 -174.168 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 O4'-C1'-C2' 101.657 -3.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O5'-C5'-C4' 113.772 2.551 . 0.011 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 1 O4'-C1'-N19 113.046 4.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C3'-C2'-C1' 103.116 1.796 . 0.158 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 112.031 3.831 . 0.229 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 113.878 5.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.948 2 O4'-C1'-N19 115.963 7.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 117.448 9.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C3'-C2'-C1' 104.061 2.846 . 0.465 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 2 O4'-C1'-N19 114.024 5.824 . 0.257 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 1 C5'-C4'-C3' 109.359 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.289 3.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.19 -10.47 30.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.225 1.41 . . . . 0.0 114.47 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.12 159.42 31.19 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.584 1.087 . . . . 0.0 113.428 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.2 154.26 56.83 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 124.048 3.165 . . . . 0.0 111.576 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -76.6 2.73 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -61.09 158.83 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.922 0.889 . . . . 0.0 111.622 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.507 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.55 169.01 11.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -80.67 56.86 2.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -166.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 14.3 m -146.76 165.05 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.648 1.979 . . . . 0.0 111.969 -172.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -126.55 4.22 6.84 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.219 1.407 . . . . 0.0 114.04 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.17 160.47 31.14 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.578 176.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.71 -16.6 44.34 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -95.24 -32.69 12.9 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -91.99 131.94 36.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 0.0 112.405 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -143.76 140.47 17.32 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.675 1.59 . . . . 0.0 111.221 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 141.62 32.68 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.481 2.787 . . . . 0.0 110.594 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 56.2 tp -161.75 143.23 11.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.47 1.508 . . . . 0.0 110.149 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.57 131.93 47.59 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.969 0.907 . . . . 0.0 111.423 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.2 t -162.33 147.4 12.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.413 1.485 . . . . 0.0 110.592 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 126.635 1.974 . . . . 0.0 112.887 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.094 -0.403 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -163.27 169.22 19.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.484 1.514 . . . . 0.0 111.159 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -161.1 133.13 5.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.215 2.206 . . . . 0.0 108.582 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -70.45 125.65 27.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.838 0.855 . . . . 0.0 111.578 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.12 -13.2 53.59 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -84.07 140.86 39.99 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 124.126 0.97 . . . . 0.0 111.044 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.27 -29.55 63.92 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.386 2.724 . . . . 0.0 115.054 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t 69.98 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 127.511 2.324 . . . . 0.0 111.07 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -145.9 135.21 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.547 1.539 . . . . 0.0 109.253 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.31 -157.2 23.63 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.939 1.257 . . . . 0.0 113.563 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -164.38 166.2 20.91 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.449 1.1 . . . . 0.0 112.64 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -161.12 128.66 4.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.174 1.79 . . . . 0.0 109.498 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -161.09 -158.39 0.58 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.015 1.726 . . . . 0.0 110.039 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.0 m -81.33 88.0 6.12 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.558 1.143 . . . . 0.0 108.43 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -11.04 60.47 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -70.18 -9.54 56.05 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.68 134.95 57.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -58.39 -23.4 57.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.727 1.611 . . . . 0.0 114.982 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -112.7 -38.55 4.56 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.92 1.288 . . . . 0.0 113.449 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 42.0 p -108.79 -19.32 13.45 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 66.69 13.51 9.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.385 2.274 . . . . 0.0 114.283 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.26 145.37 54.32 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.315 170.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.53 148.58 96.41 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.93 132.81 54.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.244 2.63 . . . . 0.0 110.446 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -69.4 126.64 30.39 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.248 0.547 . . . . 0.0 112.209 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 7.4 t -141.16 3.11 1.75 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.401 1.88 . . . . 0.0 112.912 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -83.0 4.44 25.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.996 1.319 . . . . 0.0 114.223 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.6 t -144.54 136.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 127.489 2.315 . . . . 0.0 107.895 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -158.44 151.73 22.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.063 1.345 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.11 1.94 28.88 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.738 1.215 . . . . 0.0 113.382 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 C-N-CA 127.216 2.206 . . . . 0.0 111.421 -177.42 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . 0.507 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.347 3.147 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O5'-C5'-C4' 114.212 2.866 . 0.32 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 1 O4'-C1'-N19 112.995 4.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.474 0 C5'-C4'-C3' 110.558 -3.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.655 4.455 . 0.272 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 2 C5'-C4'-C3' 107.262 -5.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.675 6.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . 0.411 HO2' " C5'" ' C' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 104.536 3.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . 0.411 " C5'" HO2' ' C' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.065 1 O4'-C1'-N19 113.704 5.504 . 0.259 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.932 0 O4'-C1'-N19 111.926 3.726 . 0.403 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 1 O4'-C1'-N19 112.278 4.078 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -158.5 125.36 4.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.0 1.32 . . . . 0.0 111.248 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 41.98 77.63 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 116.884 -2.064 . . . . 0.0 115.9 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -30.28 20.24 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.458 2.629 . . . . 0.0 114.215 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 61.79 7.9 2.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.081 1.752 . . . . 0.0 115.58 173.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -140.22 142.61 35.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.944 1.698 . . . . 0.0 110.024 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.26 144.06 48.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -75.29 28.65 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.175 0.99 . . . . 0.0 113.532 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.15 149.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.127 2.571 . . . . 0.0 109.277 -168.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.68 141.0 49.91 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.727 1.211 . . . . 0.0 112.971 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -155.44 138.56 15.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.6 1.16 . . . . 0.0 111.695 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -161.72 174.12 13.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.227 1.811 . . . . 0.0 112.055 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -127.5 157.32 40.4 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.432 1.493 . . . . 0.0 111.995 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -158.46 177.25 11.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.038 1.735 . . . . 0.0 111.666 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 145.0 68.29 Favored Pre-proline 0 CA--C 1.556 1.18 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.38 160.41 44.79 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.555 2.837 . . . . 0.0 111.867 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.0 tp -157.06 123.87 5.09 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.641 1.577 . . . . 0.0 109.463 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 92.2 mmm 68.12 164.9 0.23 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.372 2.269 . . . . 0.0 113.11 -171.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 9.5 t -162.58 160.06 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.349 1.459 . . . . 0.0 111.132 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.783 2.033 . . . . 0.0 111.999 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.5 m -61.66 -19.04 61.88 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -54.82 -18.39 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.816 2.046 . . . . 0.0 114.128 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.37 -17.05 60.87 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.485 1.114 . . . . 0.0 113.876 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.2 -13.39 0.47 Allowed 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -171.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.35 -47.31 2.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -81.2 37.92 0.72 Allowed 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.184 2.589 . . . . 0.0 113.088 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.13 46.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.703 1.601 . . . . 0.0 112.132 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.4 m -147.51 151.09 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.735 2.014 . . . . 0.0 111.017 -172.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.29 170.71 42.92 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.555 1.074 . . . . 0.0 114.019 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.6 m -75.09 157.32 34.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.531 1.132 . . . . 0.0 113.306 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -65.97 154.07 40.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.097 0.959 . . . . 0.0 113.068 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -144.8 31.75 1.16 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.6 1.96 . . . . 0.0 110.586 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -105.06 141.36 36.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.656 1.982 . . . . 0.0 111.697 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 170.65 16.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.018 1.727 . . . . 0.0 112.945 177.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -63.65 146.95 52.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.692 0.797 . . . . 0.0 111.097 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.35 105.28 4.03 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.74 -14.28 51.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.7 -13.86 16.32 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.013 1.325 . . . . 0.0 113.825 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 65.2 p -135.6 -10.66 2.12 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 72.66 16.76 4.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.925 2.49 . . . . 0.0 114.628 169.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 138.45 38.0 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.101 -0.999 . . . . 0.0 111.414 170.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.06 139.29 92.77 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.59 149.6 66.22 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.746 2.964 . . . . 0.0 112.22 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -80.74 136.08 36.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.869 0.868 . . . . 0.0 110.134 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.4 m -52.81 129.08 28.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.536 1.934 . . . . 0.0 112.034 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -161.93 159.06 26.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.864 1.666 . . . . 0.0 111.592 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.05 178.23 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.512 1.925 . . . . 0.0 110.712 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.48 126.35 27.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.505 -0.747 . . . . 0.0 110.287 175.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 46.0 mt 70.99 7.37 6.19 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.086 2.154 . . . . 0.0 114.443 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.515 1.526 . . . . 0.0 112.245 177.357 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 2 C3'-C2'-C1' 97.737 -4.181 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 0 C4'-C3'-C2' 99.732 -2.968 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.931 4.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O5'-C5'-C4' 112.851 1.893 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O5'-C5'-C4' 117.005 4.861 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.101 1 O4'-C1'-N19 115.564 7.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 1 O4'-C1'-N19 115.134 6.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.915 2.683 . 0.191 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 1 O4'-C1'-N19 112.714 4.514 . 0.767 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C5'-C4'-C3' 109.578 -3.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.344 0 O5'-C5'-C4' 115.228 3.591 . 0.01 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.35 -28.89 57.02 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.933 0.893 . . . . 0.0 113.318 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.16 157.77 15.39 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.439 1.495 . . . . 0.0 112.5 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.18 145.5 60.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.703 2.935 . . . . 0.0 111.749 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -122.78 11.94 9.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.601 1.561 . . . . 0.0 113.194 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -161.94 145.62 12.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.67 1.588 . . . . 0.0 110.409 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.61 166.05 23.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.55 149.39 49.26 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.457 1.503 . . . . 0.0 109.037 165.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.27 27.3 m 53.53 175.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 128.937 2.895 . . . . 0.0 114.713 -169.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -157.96 167.9 28.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.9 2.08 . . . . 0.0 111.812 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -158.08 133.44 8.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.537 1.135 . . . . 0.0 111.398 -174.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -67.82 -25.23 65.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.493 1.117 . . . . 0.0 112.856 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 70.84 -21.79 0.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.739 2.816 . . . . 0.0 116.049 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -154.92 157.52 37.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.671 1.588 . . . . 0.0 111.982 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -161.95 154.92 17.21 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.969 1.707 . . . . 0.0 111.74 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.7 139.27 24.93 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.052 2.501 . . . . 0.0 110.517 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -162.78 155.55 19.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.822 1.649 . . . . 0.0 111.639 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -75.79 -21.53 57.28 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 61.8 p -166.65 152.7 8.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.541 1.536 . . . . 0.0 111.476 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.996 1.718 . . . . 0.0 112.224 -173.782 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -163.04 164.86 25.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.385 1.474 . . . . 0.0 111.251 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -164.74 161.94 20.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.43 1.892 . . . . 0.0 110.788 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -68.55 122.06 17.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.184 0.993 . . . . 0.0 111.543 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.5 162.75 24.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.086 1.754 . . . . 0.0 111.379 -176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -156.59 112.44 2.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.058 1.343 . . . . 0.0 109.695 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -63.43 158.85 43.0 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.925 3.084 . . . . 0.0 113.53 176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.0 t -138.51 122.92 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.314 1.446 . . . . 0.0 108.836 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -165.09 141.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.895 1.678 . . . . 0.0 110.008 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.18 170.93 38.05 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.426 1.012 . . . . 0.0 114.044 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -148.25 157.82 43.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.643 1.577 . . . . 0.0 111.525 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -160.96 152.6 19.45 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.888 1.675 . . . . 0.0 110.639 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.21 152.39 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.559 1.943 . . . . 0.0 110.113 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.5 p -134.44 36.89 3.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.597 1.959 . . . . 0.0 111.709 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 70.8 mtm -61.17 4.68 0.08 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.936 2.094 . . . . 0.0 115.106 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -73.22 -19.49 61.08 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.148 1.779 . . . . 0.0 113.598 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -173.02 123.94 0.42 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttp-105 -74.06 -17.34 60.97 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -103.29 -36.11 8.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.955 1.302 . . . . 0.0 113.272 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -98.37 -27.14 14.23 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.208 0.913 . . . . 0.0 112.223 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 57.48 42.36 24.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.176 1.79 . . . . 0.0 112.541 168.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -130.73 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.515 0.726 . . . . 0.0 111.066 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -61.87 142.26 95.04 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.11 141.94 56.43 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.256 3.304 . . . . 0.0 113.712 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.04 131.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 108.263 -174.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -146.81 163.98 34.28 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.996 1.319 . . . . 0.0 112.362 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -108.43 -1.34 19.95 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.783 1.633 . . . . 0.0 112.918 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 96.5 t -146.62 131.54 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.291 1.436 . . . . 0.0 110.657 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -158.83 146.58 17.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.803 1.641 . . . . 0.0 109.885 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.61 -3.41 58.8 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.927 2.091 . . . . 0.0 111.515 -178.172 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 3 N19-C1'-C2' 120.783 4.614 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 C4'-C3'-C2' 99.403 -3.297 . 0.253 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 O4'-C1'-N19 112.417 4.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O5'-C5'-C4' 112.875 1.911 . 0.217 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 1 O4'-C1'-N19 112.365 4.165 . 0.228 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 116.135 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 1 O4'-C1'-N19 113.181 4.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 110.314 2.114 . 0.119 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 C5'-C4'-C3' 109.142 -4.238 . 0.176 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 0 O4'-C1'-N19 111.272 3.072 . 0.292 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 O4'-C1'-N19 113.035 4.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -161.59 143.89 11.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.744 1.217 . . . . 0.0 112.504 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.29 73.01 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 CA-C-O 117.711 -1.605 . . . . 0.0 115.52 167.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.88 -39.09 54.13 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.403 2.069 . . . . 0.0 110.361 168.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -145.48 157.76 43.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 128.0 2.52 . . . . 0.0 109.341 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -133.68 -32.62 1.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -61.09 151.03 32.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -74.98 64.66 1.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.526 0.679 . . . . 0.0 112.319 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -146.52 173.29 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 128.135 2.574 . . . . 0.0 110.573 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -149.83 174.81 12.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.216 1.407 . . . . 0.0 112.879 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -153.62 165.09 37.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.261 1.424 . . . . 0.0 112.347 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -130.85 16.41 5.23 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.218 1.407 . . . . 0.0 113.388 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.61 164.2 39.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.962 1.705 . . . . 0.0 112.868 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.0 156.43 31.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.736 1.214 . . . . 0.0 113.322 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.99 151.35 86.16 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.454 1.102 . . . . 0.0 113.522 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -69.54 161.65 45.08 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.428 2.752 . . . . 0.0 111.404 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.9 144.98 20.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.105 1.362 . . . . 0.0 110.506 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.03 151.49 45.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.782 1.633 . . . . 0.0 110.867 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 43.6 p -86.62 -6.38 58.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.788 2.035 . . . . 0.0 112.019 -176.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -164.57 168.17 18.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.349 1.459 . . . . 0.0 111.757 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -146.94 134.54 20.99 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.437 1.495 . . . . 0.0 109.427 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -161.25 138.81 9.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.233 1.413 . . . . 0.0 111.253 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.04 157.92 26.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.722 1.609 . . . . 0.0 111.484 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.22 156.59 16.67 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 126.108 1.763 . . . . 0.0 110.156 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.13 76.52 3.42 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.319 2.679 . . . . 0.0 111.029 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.68 117.73 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.071 0.948 . . . . 0.0 110.131 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.42 8.65 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.597 1.559 . . . . 0.0 112.946 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.2 76.6 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.04 1.305 . . . . 0.0 113.786 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -168.07 136.86 2.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.646 2.378 . . . . 0.0 108.483 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -141.31 39.27 1.74 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.432 1.893 . . . . 0.0 108.602 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.5 170.4 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.695 1.998 . . . . 0.0 112.132 -165.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 30.2 p -80.4 99.68 8.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.626 1.17 . . . . 0.0 110.474 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.4 ttt -76.3 -2.63 32.48 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.116 . . . . 0.0 112.913 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -72.59 9.65 1.03 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.644 1.978 . . . . 0.0 115.634 -169.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.431 ' C ' ' HG1' ' B' ' 68' ' ' THR . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' B' ' 67' ' ' ILE . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -167.2 126.63 1.41 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.38 -23.22 64.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -103.29 -37.04 7.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.897 1.279 . . . . 0.0 113.336 -172.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -96.91 -26.79 14.93 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.998 0.817 . . . . 0.0 112.183 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 58.62 41.58 21.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.022 1.729 . . . . 0.0 112.478 168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.99 -138.6 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.777 0.831 . . . . 0.0 112.109 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -59.23 121.37 55.46 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.6 173.14 11.68 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.157 3.238 . . . . 0.0 111.941 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 68.31 20.45 8.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.109 2.163 . . . . 0.0 113.985 170.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 40.4 p -70.26 -175.86 1.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.543 1.937 . . . . 0.0 111.646 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -74.85 56.33 0.73 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.518 1.527 . . . . 0.0 113.47 -173.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -142.35 138.54 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.226 2.211 . . . . 0.0 109.861 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -157.52 -4.18 0.1 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.72 165.12 28.54 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.177 1.391 . . . . 0.0 112.257 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.709 2.003 . . . . 0.0 111.766 -178.546 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-C2' 101.32 -3.628 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.522 4.322 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.78 4.58 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.364 3.164 . 0.094 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 104.893 3.77 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 114.197 5.997 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 C3'-C2'-C1' 105.065 3.961 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.271 1 O4'-C1'-N19 112.515 4.315 . 0.41 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 114.467 6.267 . 0.48 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.606 0 O5'-C5'-C4' 113.059 2.042 . 0.074 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.323 0.582 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 121.454 0.645 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.764 0.316 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 121.332 0.587 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.915 0.388 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp . . . . . 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.439 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.439 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 121.289 0.566 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt . . . . . 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.494 0.664 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.804 0.335 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.506 0.193 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 159' ' ' PHE . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.415 ' CE2' ' HB1' ' A' ' 155' ' ' ALA . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 CA--C 1.54 0.587 0 CA-C-O 120.995 0.426 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.042 0.448 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 120.841 0.353 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' B' ' 75' ' ' SER . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 75' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' B' ' 44' ' ' TYR 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 155' ' ' ALA . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.543 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.821 0.343 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 121.587 0.708 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.18 0.515 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 120.816 0.341 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 121.299 0.571 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.062 0.458 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt . . . . . 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 155' ' ' ALA . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 121.508 0.671 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.433 HG22 ' H ' ' B' ' 47' ' ' SER . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.433 ' H ' HG22 ' B' ' 46' ' ' THR . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.853 0.358 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 120.288 0.09 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 CA--C 1.554 1.116 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -161.61 144.85 12.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.645 1.578 . . . . 0.0 111.121 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.12 -177.47 48.39 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.548 1.07 . . . . 0.0 113.925 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -66.84 143.91 68.83 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.963 3.108 . . . . 0.0 113.066 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.92 -4.5 58.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.636 1.174 . . . . 0.0 113.663 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -98.66 136.42 38.75 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.152 2.181 . . . . 0.0 109.014 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -66.84 159.85 27.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -67.99 131.44 45.47 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.287 1.9 m 76.29 135.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 129.87 3.268 . . . . 0.0 111.026 -168.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -122.29 8.59 9.7 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -167.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.47 135.2 57.59 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.036 0.934 . . . . 0.0 112.63 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.71 155.18 44.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.143 1.777 . . . . 0.0 111.591 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.23 -25.76 58.39 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.55 23.69 13.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.632 1.973 . . . . 0.0 114.786 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -154.17 155.2 30.77 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.849 1.26 . . . . 0.0 113.41 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -73.74 169.32 22.64 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.5 2.8 . . . . 0.0 110.963 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 163.78 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 76.8 mtm -95.95 -13.84 23.54 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.8 t -166.72 147.84 6.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.892 1.677 . . . . 0.0 110.544 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.366 1.866 . . . . 0.0 112.355 -174.802 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.1 p -159.45 154.13 24.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.009 1.323 . . . . 0.0 111.741 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -168.77 171.8 8.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.551 1.94 . . . . 0.0 110.632 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -157.92 152.14 24.46 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.134 1.774 . . . . 0.0 111.709 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.58 168.24 20.27 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.739 1.615 . . . . 0.0 111.795 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.87 132.13 94.72 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.3 1.04 . . . . 0.0 110.503 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -71.33 134.3 24.46 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.201 2.6 . . . . 0.0 111.339 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -152.41 160.96 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.796 2.039 . . . . 0.0 110.226 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -139.69 141.25 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.069 1.348 . . . . 0.0 111.091 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.02 -4.13 72.37 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.68 1.133 . . . . 0.0 114.737 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.0 p -60.0 -15.88 26.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.75 1.62 . . . . 0.0 115.117 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -69.85 -23.34 63.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.957 1.303 . . . . 0.0 113.247 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -138.67 -16.82 1.13 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 20.8 m -138.49 112.93 8.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.834 2.053 . . . . 0.0 107.532 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.88 67.59 0.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.859 0.864 . . . . 0.0 111.112 -170.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -106.44 -20.92 13.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.455 1.102 . . . . 0.0 113.428 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.23 130.7 42.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 3.23 36.58 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -112.78 -21.06 11.39 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.019 1.328 . . . . 0.0 113.383 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -130.55 -13.08 3.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.839 1.656 . . . . 0.0 114.492 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 67.79 11.66 8.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.634 1.973 . . . . 0.0 112.751 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -72.33 145.96 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.275 -0.89 . . . . 0.0 112.192 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 164.19 18.19 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.1 155.18 15.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 124.732 3.621 . . . . 0.0 114.222 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -156.35 174.01 16.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.417 1.487 . . . . 0.0 113.304 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.2 p -68.09 166.52 15.88 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.362 1.865 . . . . 0.0 112.083 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.17 124.68 20.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.832 0.853 . . . . 0.0 112.729 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.12 131.83 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.334 1.854 . . . . 0.0 109.111 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -138.17 10.83 2.81 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.158 0.983 . . . . 0.0 113.009 -169.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 58.1 tp -157.58 137.87 12.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.655 1.582 . . . . 0.0 110.347 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.276 1.83 . . . . 0.0 112.047 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 N19-C1'-C2' 118.047 2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 100.326 -2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 112.632 1.737 . 0.159 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 1 O5'-C5'-C4' 116.096 4.212 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 O4'-C1'-N19 114.333 6.133 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 1 O4'-C1'-N19 114.899 6.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.543 1.711 1 O4'-C1'-N19 115.556 7.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.255 3.061 . 0.094 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 2 O4'-C1'-N19 112.961 4.761 . 0.769 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 C5'-C4'-C3' 108.758 -4.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 O4'-C1'-N19 110.286 2.086 . 0.417 4p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -161.52 156.81 23.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.42 1.488 . . . . 0.0 111.708 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.36 170.7 54.87 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.442 1.02 . . . . 0.0 112.937 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.72 -24.2 7.52 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.122 2.548 . . . . 0.0 113.644 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 66.15 -9.94 0.27 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.448 2.299 . . . . 0.0 115.544 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -101.59 149.36 24.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.344 1.858 . . . . 0.0 109.676 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.549 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -71.46 153.98 41.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -75.9 29.85 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 25.3 m -155.8 177.04 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 129.125 2.97 . . . . 0.0 108.925 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -47.85 131.5 15.06 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.442 1.097 . . . . 0.0 113.594 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -167.48 142.34 3.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.574 1.55 . . . . 0.0 111.314 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.71 104.81 2.73 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.66 1.184 . . . . 0.0 110.095 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 156.74 28.16 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -164.14 168.56 18.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.578 1.551 . . . . 0.0 111.873 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.54 126.79 90.33 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 123.844 0.857 . . . . 0.0 111.925 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.68 145.12 25.62 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.13 2.553 . . . . 0.0 110.419 169.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.8 tp -157.79 135.51 10.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.284 1.034 . . . . 0.0 111.138 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 17.1 tpt -165.78 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 110.964 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 66.7 m -145.44 146.66 31.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.519 1.528 . . . . 0.0 110.787 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.273 1.829 . . . . 0.0 112.027 -176.728 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.5 p -161.84 166.33 26.51 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.3 1.44 . . . . 0.0 111.781 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -144.31 147.97 34.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -172.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -110.09 7.16 23.4 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.817 1.647 . . . . 0.0 113.568 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.9 173.19 14.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.702 2.401 . . . . 0.0 110.188 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.85 137.89 26.52 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 124.728 1.211 . . . . 0.0 110.814 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.44 160.53 25.66 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.772 2.982 . . . . 0.0 111.984 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 p -161.05 132.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.455 1.502 . . . . 0.0 109.763 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -150.84 151.87 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.722 1.609 . . . . 0.0 111.116 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -134.99 7.31 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.185 1.374 . . . . 0.0 111.891 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -155.69 153.77 30.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.011 1.325 . . . . 0.0 111.239 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -92.41 -8.8 43.8 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.819 1.248 . . . . 0.0 113.773 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -161.3 146.15 13.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.078 1.351 . . . . 0.0 112.157 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.3 m -68.95 139.39 55.06 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.568 1.547 . . . . 0.0 110.615 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 27.6 ttt -152.97 144.61 23.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.941 1.296 . . . . 0.0 111.377 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -134.75 150.46 50.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.82 1.648 . . . . 0.0 109.659 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 178.82 125.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.51 0.71 16.32 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -106.45 -41.64 5.24 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.63 -1.293 . . . . 0.0 113.335 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -97.35 -35.69 10.63 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.721 1.209 . . . . 0.0 112.326 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 72.47 18.63 4.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.77 2.428 . . . . 0.0 112.457 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -94.8 144.72 25.41 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.155 0.982 . . . . 0.0 113.533 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -49.85 135.72 20.31 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.04 168.39 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.986 3.124 . . . . 0.0 111.86 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -65.5 157.85 28.48 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.845 0.858 . . . . 0.0 112.314 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.0 m -48.43 138.84 9.71 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.607 2.363 . . . . 0.0 112.521 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -72.5 47.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.782 2.033 . . . . 0.0 114.403 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -140.04 131.21 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.119 2.168 . . . . 0.0 108.357 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -83.47 127.14 33.47 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.845 0.858 . . . . 0.0 110.624 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.31 154.06 17.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.872 1.269 . . . . 0.0 110.396 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.018 1.727 . . . . 0.0 112.069 -177.81 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.549 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 C5'--C4' 1.539 2.263 0 O4'-C1'-C2' 101.909 -3.208 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.427 0 C4'-C3'-C2' 100.127 -2.573 . 0.382 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.135 1 O4'-C1'-N19 113.541 5.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 O5'-C5'-C4' 112.978 1.984 . 0.249 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 1 C5'-C4'-C3' 109.195 -4.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 112.527 4.327 . 0.278 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 114.497 6.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.878 1 O4'-C1'-N19 115.067 6.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 100.06 -2.64 . 0.269 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 111.903 3.703 . 0.575 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 O4'-C1'-N19 111.945 3.745 . 0.364 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 C5'-C4'-C3' 110.263 -3.491 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.67 122.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.051 2.54 . . . . 0.0 115.355 170.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.81 177.88 51.84 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.664 1.126 . . . . 0.0 115.008 171.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.87 167.56 26.95 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 124.188 3.258 . . . . 0.0 112.821 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -145.26 140.28 27.72 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.672 1.589 . . . . 0.0 110.787 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -91.98 148.87 21.87 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.542 0.737 . . . . 0.0 110.605 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -73.98 152.02 40.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -73.11 24.88 0.06 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 21.7 m -152.3 161.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.703 2.401 . . . . 0.0 110.501 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -62.88 133.79 55.23 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.03 0.932 . . . . 0.0 113.017 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -72.49 -31.59 65.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.743 0.817 . . . . 0.0 112.674 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 62.03 -164.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.306 1.842 . . . . 0.0 112.363 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -66.2 169.03 7.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.867 1.267 . . . . 0.0 114.134 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -148.77 169.74 19.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.768 1.627 . . . . 0.0 111.882 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 51.6 tptt 54.68 61.81 8.89 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 126.173 1.789 . . . . 0.0 113.4 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.97 168.31 25.05 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.638 2.892 . . . . 0.0 111.493 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.0 tp -155.46 117.03 4.01 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.855 1.262 . . . . 0.0 110.011 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.5 mtp 65.55 -14.83 0.12 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.928 2.491 . . . . 0.0 115.717 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 82.9 p -165.11 169.99 15.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.722 2.009 . . . . 0.0 111.464 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.632 1.973 . . . . 0.0 112.56 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -71.22 -4.34 25.14 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -171.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 p -74.32 -14.46 60.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.777 1.631 . . . . 0.0 113.351 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -75.74 120.98 21.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.284 1.034 . . . . 0.0 111.131 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.81 144.44 35.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.315 1.046 . . . . 0.0 112.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.87 -25.65 0.46 Allowed Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -81.46 63.46 8.57 Favored 'Trans proline' 0 C--N 1.358 1.042 0 CA-C-N 123.628 2.331 . . . . 0.0 111.353 -172.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.44 -8.03 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.27 1.428 . . . . 0.0 113.944 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -142.74 128.65 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.713 2.005 . . . . 0.0 108.395 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.64 19.49 4.22 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.147 1.356 . . . . 0.0 114.686 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -161.63 177.29 10.12 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.555 1.178 . . . . 0.0 113.239 -169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -151.35 146.39 25.97 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.614 1.966 . . . . 0.0 110.21 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -145.44 120.75 10.24 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.213 1.405 . . . . 0.0 109.992 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.8 p -141.12 34.43 1.72 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.038 1.735 . . . . 0.0 112.04 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.4 ptm -65.38 -7.45 13.81 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.38 5.61 46.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.917 1.687 . . . . 0.0 114.142 -171.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.497 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.6 132.42 40.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 tpt85 -73.27 -13.12 61.07 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -112.34 -22.81 10.7 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.645 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 73.5 p -124.31 -12.06 7.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.013 1.325 . . . . 0.0 114.564 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 67.84 6.28 5.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.277 2.231 . . . . 0.0 113.706 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -73.11 146.18 45.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.629 1.172 . . . . 0.0 111.411 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -92.68 130.71 35.96 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.37 161.57 43.96 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.72 2.947 . . . . 0.0 111.123 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -71.24 150.07 45.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.736 0.814 . . . . 0.0 111.424 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -51.29 129.45 24.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.595 1.958 . . . . 0.0 111.931 -174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -160.21 160.42 32.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.721 1.608 . . . . 0.0 111.662 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.5 p -154.93 27.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.521 1.528 . . . . 0.0 112.042 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.56 158.71 26.75 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.689 1.595 . . . . 0.0 111.279 -174.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 51.7 mt 68.22 -178.54 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.083 2.153 . . . . 0.0 113.117 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.635 1.974 . . . . 0.0 112.015 -176.461 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.438 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-C2' 102.927 -2.481 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 O5'-C5'-C4' 113.307 2.219 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 O4'-C1'-N19 113.591 5.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C3'-C2'-C1' 104.425 3.25 . 0.21 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C3'-C2'-C1' 104.462 3.292 . 0.255 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.428 5.228 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.497 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 114.915 6.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.93 1 O4'-C1'-N19 115.351 7.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.664 -3.036 . 0.2 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C3'-C2'-C1' 104.872 3.747 . 0.646 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 1 O4'-C1'-N19 112.21 4.01 . 0.124 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER '7D dist 2o' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -166.56 171.32 11.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.016 1.727 . . . . 0.0 111.796 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.64 -134.91 14.72 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.876 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.34 152.82 75.3 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.724 2.95 . . . . 0.0 111.878 -173.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -153.69 8.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -80.75 158.18 25.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 166.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -76.74 169.75 17.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -75.69 39.2 0.16 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.081 1.752 . . . . 0.0 112.894 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -152.33 155.28 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 127.586 2.354 . . . . 0.0 110.831 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.78 -7.98 59.65 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -66.0 141.04 58.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.052 1.341 . . . . 0.0 112.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -160.62 161.45 32.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.689 1.595 . . . . 0.0 112.428 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.92 152.21 43.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.024 0.93 . . . . 0.0 112.841 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -132.67 8.92 4.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.721 . . . . 0.0 112.59 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -146.83 160.05 41.8 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.681 2.392 . . . . 0.0 110.27 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -57.14 167.45 3.32 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.237 3.291 . . . . 0.0 114.643 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 60.1 tp -89.69 125.98 35.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.663 1.185 . . . . 0.0 109.989 172.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 97.5 mtp -85.69 138.26 32.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.49 1.116 . . . . 0.0 111.516 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 22.9 p -84.99 137.88 32.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.48 1.112 . . . . 0.0 111.971 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.046 -176.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 -4.98 57.75 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.3 p -140.79 154.74 46.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.561 1.944 . . . . 0.0 111.056 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -142.82 11.91 1.84 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.932 1.293 . . . . 0.0 114.295 -173.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.84 28.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.264 1.826 . . . . 0.0 111.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -161.73 -40.94 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.574 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -67.2 113.66 2.93 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.284 1.99 . . . . 0.0 112.637 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 m -78.8 61.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.166 1.386 . . . . 0.0 110.451 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.49 137.16 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.173 1.789 . . . . 0.0 109.923 -169.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 65.72 3.0 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.269 1.414 . . . . 0.0 112.599 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -78.8 -7.34 57.75 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.812 1.245 . . . . 0.0 113.637 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -156.32 -31.83 0.09 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.248 1.819 . . . . 0.0 112.395 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -150.43 133.57 16.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.023 1.729 . . . . 0.0 109.78 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -106.64 142.13 36.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.174 -169.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -78.83 167.85 20.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 113.14 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.05 178.02 7.38 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.481 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -171.87 132.01 0.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -2.07 55.99 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -171.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.71 -24.19 11.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.934 1.293 . . . . 0.0 113.144 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 80.3 p -136.68 -12.99 1.74 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.392 1.477 . . . . 0.0 114.819 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 65.47 16.62 10.61 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.49 1.916 . . . . 0.0 113.926 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.15 142.25 54.39 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.182 0.993 . . . . 0.0 111.782 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -40.47 130.67 1.74 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.06 159.96 11.31 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.171 3.247 . . . . 0.0 114.285 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -68.42 162.25 25.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.227 1.411 . . . . 0.0 113.031 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 35.4 p -87.76 -4.51 58.89 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.266 1.826 . . . . 0.0 114.957 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -156.12 163.49 39.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.827 1.251 . . . . 0.0 111.782 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.2 t -126.1 120.06 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.657 1.583 . . . . 0.0 108.822 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.29 12.58 3.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.126 1.371 . . . . 0.0 112.09 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.9 mt -110.6 4.77 20.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.627 1.571 . . . . 0.0 113.176 -173.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.698 1.999 . . . . 0.0 112.139 -175.641 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 0 C3'-C2'-C1' 98.528 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O5'-C5'-C4' 114.05 2.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 1 O4'-C1'-N19 112.961 4.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O5'-C5'-C4' 112.92 1.943 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 O4'-C1'-N19 111.665 3.465 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 113.03 4.83 OUTLIER-EPSILON 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.481 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.175 3 O4'-C1'-N19 116.223 8.023 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.765 1 O4'-C1'-N19 114.812 6.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O4'-C1'-N19 112.092 3.892 . 0.074 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 2 O4'-C1'-N19 114.365 6.165 . 0.307 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 O4'-C1'-N19 112.301 4.101 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -159.93 158.91 31.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.792 1.637 . . . . 0.0 111.262 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.48 39.7 3.16 Favored Glycine 0 CA--C 1.544 1.858 0 CA-C-O 116.908 -2.051 . . . . 0.0 116.888 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.96 -18.46 21.51 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 121.882 2.841 . . . . 0.0 112.574 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -65.08 142.51 58.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.847 1.659 . . . . 0.0 112.305 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -96.12 -175.34 3.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.61 1.964 . . . . 0.0 109.507 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.439 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.439 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.37 151.96 45.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -77.6 61.17 2.29 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 18.1 m -143.57 151.2 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.337 2.255 . . . . 0.0 111.124 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -89.07 -1.44 58.1 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -154.49 153.99 32.41 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.324 1.449 . . . . 0.0 111.909 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -141.69 12.91 2.1 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.694 1.597 . . . . 0.0 113.288 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -149.91 148.33 28.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.166 1.386 . . . . 0.0 113.332 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.38 172.75 10.66 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.359 1.864 . . . . 0.0 111.367 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.78 145.78 54.35 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 125.528 1.531 . . . . 0.0 111.348 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.29 147.24 47.06 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.441 2.761 . . . . 0.0 111.2 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.6 mt -116.11 3.37 13.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.03 1.332 . . . . 0.0 112.991 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 15.0 tpt -162.57 148.24 12.51 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.701 2.0 . . . . 0.0 110.38 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 48.2 m -69.49 130.77 43.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.306 1.043 . . . . 0.0 111.951 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 126.58 1.952 . . . . 0.0 112.822 -176.267 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m 65.38 23.67 12.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.258 1.423 . . . . 0.0 113.153 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 34.6 p -143.85 162.2 36.7 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.602 2.361 . . . . 0.0 110.916 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -150.59 28.57 0.71 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.606 1.562 . . . . 0.0 112.235 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.67 36.1 22.44 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 113.182 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.21 137.97 91.55 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.195 1.398 . . . . 0.0 112.119 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.22 134.72 21.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.32 2.68 . . . . 0.0 111.184 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -164.21 134.92 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.781 1.632 . . . . 0.0 109.754 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -165.63 149.56 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.467 1.507 . . . . 0.0 110.328 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.32 -176.3 44.31 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.443 1.02 . . . . 0.0 113.648 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 90.1 p -161.96 172.17 16.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.168 1.387 . . . . 0.0 112.042 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -155.51 147.07 22.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.151 1.38 . . . . 0.0 111.324 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -145.56 129.44 17.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.712 2.005 . . . . 0.0 109.474 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -147.63 140.19 24.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.431 1.493 . . . . 0.0 111.038 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.7 tpt -161.6 153.21 18.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.861 2.064 . . . . 0.0 109.061 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -68.36 129.3 39.5 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.998 0.919 . . . . 0.0 112.267 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.88 128.01 35.08 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -69.54 -16.77 63.5 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -103.17 -22.3 13.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.836 1.254 . . . . 0.0 113.709 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.6 p -124.8 -14.97 6.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.419 1.488 . . . . 0.0 114.287 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 69.28 15.04 8.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.139 2.176 . . . . 0.0 113.147 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -85.53 141.52 29.82 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.493 1.117 . . . . 0.0 111.594 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.15 142.37 66.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -51.06 150.43 13.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.44 3.426 . . . . 0.0 113.71 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 73.8 -27.13 0.19 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.195 2.598 . . . . 0.0 114.412 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 17.6 p -99.11 -21.91 15.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.052 1.341 . . . . 0.0 113.129 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -74.75 167.98 20.76 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.581 1.152 . . . . 0.0 113.75 173.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -162.4 133.91 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.709 1.604 . . . . 0.0 110.285 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -168.75 142.45 3.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.634 1.974 . . . . 0.0 108.801 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.2 pp -157.39 172.09 19.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.234 1.413 . . . . 0.0 111.971 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.387 1.875 . . . . 0.0 111.988 -177.447 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 2 C3'-C2'-C1' 97.413 -4.541 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 C5'-C4'-O4' 113.497 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.405 5.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C3'-C2'-C1' 103.494 2.215 . 0.334 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.075 3.875 . 0.306 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.297 -4.802 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 2 O4'-C1'-N19 113.474 5.274 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.545 4.345 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-O4' 113.132 2.808 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C3'-C2'-C1' 104.894 3.771 . 0.227 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.098 2.887 . 0.213 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O4'-C1'-N19 110.371 2.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -162.57 166.48 24.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.155 1.782 . . . . 0.0 110.918 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.93 -173.86 29.04 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 125.118 1.342 . . . . 0.0 113.914 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 127.75 10.49 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.73 2.953 . . . . 0.0 111.79 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -125.84 8.03 7.46 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.455 1.502 . . . . 0.0 112.782 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -136.4 144.39 44.5 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.684 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -62.96 156.96 23.0 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -74.86 100.65 4.14 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.02 0.928 . . . . 0.0 109.668 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.84 -11.6 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 115.732 1.752 . . . . 0.0 115.732 -166.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -90.88 -0.81 57.83 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.317 1.447 . . . . 0.0 113.16 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -149.82 -25.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.73 1.212 . . . . 0.0 114.155 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -138.89 115.69 10.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 111.634 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -147.16 171.18 15.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.193 2.197 . . . . 0.0 110.351 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -147.14 136.14 22.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.506 1.122 . . . . 0.0 111.794 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -76.34 -42.66 3.3 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.53 167.01 24.99 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.496 2.13 . . . . 0.0 111.976 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.82 174.78 14.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.029 1.731 . . . . 0.0 111.87 -174.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.0 ttp 71.58 29.87 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.358 1.863 . . . . 0.0 112.708 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 65.1 p -156.77 149.46 23.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.041 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.57 1.948 . . . . 0.0 110.253 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.7 p -83.73 -11.23 57.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.3 t -163.01 163.89 25.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.61 1.964 . . . . 0.0 110.579 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -162.09 143.81 10.99 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.054 1.741 . . . . 0.0 111.345 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.66 13.15 3.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.861 1.664 . . . . 0.0 113.509 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 56.43 60.68 7.82 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.279 1.832 . . . . 0.0 112.482 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.54 137.42 33.17 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.406 2.737 . . . . 0.0 111.536 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 p -82.49 11.81 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.961 1.305 . . . . 0.0 113.246 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -142.13 134.88 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.862 2.065 . . . . 0.0 108.941 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.43 -152.01 6.13 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.103 1.335 . . . . 0.0 113.103 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -155.49 166.93 32.01 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.136 1.374 . . . . 0.0 112.006 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -147.48 158.65 44.07 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.032 1.733 . . . . 0.0 111.455 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -161.45 172.61 16.17 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.942 2.097 . . . . 0.0 111.162 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 39.4 p -101.83 -7.59 22.38 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.971 1.308 . . . . 0.0 114.344 -172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.7 -16.08 45.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.3 -17.02 57.53 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.556 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.58 133.09 43.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.98 56.96 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.87 -32.28 8.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.599 1.159 . . . . 0.0 113.062 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.2 p -109.14 -18.73 13.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 70.45 6.2 5.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.452 2.301 . . . . 0.0 113.111 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -83.27 152.0 25.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.522 1.129 . . . . 0.0 111.935 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -46.88 138.94 6.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -64.59 157.53 54.89 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 124.434 3.422 . . . . 0.0 112.885 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -129.63 -178.29 4.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.182 1.793 . . . . 0.0 112.578 -173.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -61.46 149.95 37.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.418 1.487 . . . . 0.0 111.262 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -121.51 150.3 41.81 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.027 1.331 . . . . 0.0 111.754 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.13 103.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.454 1.101 . . . . 0.0 109.081 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -138.05 10.23 2.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.368 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.73 149.87 39.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.605 1.962 . . . . 0.0 110.213 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.199 1.8 . . . . 0.0 112.116 -177.883 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.478 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.435 3 C3'-C2'-C1' 97.491 -4.455 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.951 0 O5'-C5'-C4' 114.288 2.92 . 0.315 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 O4'-C1'-N19 112.5 4.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O5'-C5'-C4' 113.513 2.367 . 0.081 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 O4'-C1'-N19 112.653 4.453 . 0.298 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 113.144 4.944 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.556 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.429 -2.04 2 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.236 2 O4'-C1'-N19 114.923 6.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 112.086 3.886 . 0.104 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 2 O4'-C1'-N19 113.571 5.371 . 0.316 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 109.874 -3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 0 O5'-C5'-C4' 113.879 2.628 . 0.047 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -160.26 141.28 12.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.757 1.623 . . . . 0.0 111.192 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.71 179.13 40.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.515 1.055 . . . . 0.0 114.301 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.29 121.52 8.83 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.554 2.836 . . . . 0.0 110.513 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -78.44 115.8 18.4 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.523 0.729 . . . . 0.0 111.408 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -135.52 153.06 51.84 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.233 1.813 . . . . 0.0 110.553 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.451 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -67.39 164.61 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -80.46 52.01 1.55 Allowed 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.989 -1.069 . . . . 0.0 112.883 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 24.7 m -152.71 171.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 128.698 2.799 . . . . 0.0 110.199 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -152.46 167.23 29.44 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.879 1.271 . . . . 0.0 113.325 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -157.87 146.44 19.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.637 1.575 . . . . 0.0 110.992 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 127.86 34.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.422 1.089 . . . . 0.0 112.626 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -82.3 82.55 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.719 1.208 . . . . 0.0 110.118 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -83.31 -9.31 59.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -170.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -153.96 133.88 7.71 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.397 1.479 . . . . 0.0 110.672 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -57.43 -44.93 38.01 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.371 2.714 . . . . 0.0 113.363 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.5 tp 70.77 -27.37 0.17 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.466 2.706 . . . . 0.0 114.732 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.94 49.03 1.16 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.354 1.862 . . . . 0.0 111.963 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.4 m -78.56 -3.26 42.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.497 1.519 . . . . 0.0 114.768 -169.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.112 2.165 . . . . 0.0 111.826 -177.747 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.6 p -161.87 164.38 28.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.097 1.359 . . . . 0.0 111.939 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -144.53 168.42 20.18 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.309 1.844 . . . . 0.0 111.06 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -155.08 155.67 34.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.433 1.493 . . . . 0.0 111.922 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.76 -25.03 41.14 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.0 147.29 3.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 126.653 1.981 . . . . 0.0 110.642 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.53 167.56 22.55 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.899 3.066 . . . . 0.0 111.542 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -74.33 116.65 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.17 149.91 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.188 1.395 . . . . 0.0 110.878 -173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.53 -107.14 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.18 1.371 . . . . 0.0 111.786 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m 65.78 30.03 10.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.004 1.322 . . . . 0.0 113.611 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -150.32 -177.25 5.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.872 1.669 . . . . 0.0 112.495 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.91 170.47 14.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.184 1.794 . . . . 0.0 111.48 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -113.93 -166.74 1.12 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.481 1.912 . . . . 0.0 110.811 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.6 ptp -152.66 -154.02 0.51 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.838 1.255 . . . . 0.0 112.405 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.44 -170.67 0.85 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.621 1.968 . . . . 0.0 114.137 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.45 ' CZ ' " H1'" ' C' ' 7' ' ' ' G' . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -115.23 121.17 42.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -0.13 8.66 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -90.7 -22.19 21.25 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.69 1.196 . . . . 0.0 112.601 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 82.0 p -135.55 -23.11 1.44 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.356 1.462 . . . . 0.0 114.068 -171.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 72.78 22.46 3.14 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 128.456 2.702 . . . . 0.0 112.028 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -101.76 150.27 23.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.847 1.259 . . . . 0.0 111.478 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -74.29 155.05 88.13 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.91 150.86 81.49 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.349 3.366 . . . . 0.0 115.418 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -155.57 154.46 31.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.893 2.477 . . . . 0.0 109.691 169.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 51.1 p -91.08 -13.48 33.06 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.278 1.431 . . . . 0.0 113.248 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 71.59 23.45 3.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.096 2.158 . . . . 0.0 112.045 -171.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.97 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 127.294 2.238 . . . . 0.0 109.319 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -162.15 153.64 18.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.739 1.216 . . . . 0.0 111.48 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.39 -41.61 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 112.269 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.352 1.861 . . . . 0.0 112.058 -178.476 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.451 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.55 4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.979 0 C4'-C3'-C2' 99.73 -2.97 . 0.287 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 1 O4'-C1'-N19 112.368 4.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C3'-C2'-C1' 103.549 2.276 . 0.198 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.7 4.5 . 0.23 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C4'-C3' 109.068 2.549 . 0.31 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.45 " H1'" ' CZ ' ' B' ' 44' ' ' TYR . . . . . . . . 0 C5'--C4' 1.538 2.159 3 O4'-C1'-N19 116.375 8.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.287 1 O4'-C1'-N19 114.647 6.447 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 112.532 4.332 . 0.075 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 1 O4'-C1'-N19 113.859 5.659 . 0.103 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 0 O4'-C1'-N19 110.557 2.357 . 0.028 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -158.92 132.29 7.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.456 1.502 . . . . 0.0 110.917 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.39 176.66 45.15 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.604 1.097 . . . . 0.0 114.057 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.99 -14.73 12.15 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.627 2.885 . . . . 0.0 114.598 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 66.17 -16.33 0.12 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.526 2.33 . . . . 0.0 115.706 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -106.52 146.21 30.89 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.449 1.499 . . . . 0.0 110.161 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.69 152.87 44.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -77.89 18.88 0.44 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.8 m -157.22 155.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 127.386 2.274 . . . . 0.0 111.038 -169.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -89.09 0.4 56.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.646 1.179 . . . . 0.0 114.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.11 125.81 26.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.881 1.272 . . . . 0.0 112.041 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -162.82 174.96 11.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 112.882 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.01 142.33 50.32 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.664 1.585 . . . . 0.0 111.296 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -137.59 0.59 2.27 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.841 1.257 . . . . 0.0 114.317 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 185' ' ' PRO . 56.8 mtmt -140.52 -54.98 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 125.706 1.602 . . . . 0.0 112.813 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.46 ' HD2' ' H ' ' A' ' 184' ' ' LYS . 74.5 Cg_endo -71.38 139.77 35.43 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.6 2.2 . . . . 0.0 110.266 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.4 HD13 ' H ' ' A' ' 187' ' ' MET . 0.1 OUTLIER -162.39 148.21 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.529 1.532 . . . . 0.0 109.478 -175.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 187' ' ' MET . . . . . 0.4 ' H ' HD13 ' A' ' 186' ' ' LEU . 95.4 mmm -75.5 -12.83 60.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.65 3.93 4.83 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.446 1.898 . . . . 0.0 114.443 175.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.251 0 C-N-CA 127.117 2.167 . . . . 0.0 111.996 -178.607 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 53.9 p -97.3 -5.04 37.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -63.75 128.38 35.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.656 1.582 . . . . 0.0 110.891 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -161.97 155.63 21.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.541 1.536 . . . . 0.0 111.386 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.22 13.5 2.21 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.566 1.546 . . . . 0.0 114.23 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.98 131.02 6.23 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 124.796 1.238 . . . . 0.0 110.672 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.49 148.92 30.25 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.168 2.578 . . . . 0.0 111.34 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.56 49.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.276 1.43 . . . . 0.0 112.953 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 0.88 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.49 1.516 . . . . 0.0 114.175 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.08 -3.79 61.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.819 1.199 . . . . 0.0 114.002 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -154.23 164.99 37.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.869 2.068 . . . . 0.0 109.779 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.07 141.64 15.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.007 0.923 . . . . 0.0 111.808 -174.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 71.16 161.62 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 128.058 2.543 . . . . 0.0 114.569 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -147.23 154.4 40.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.19 2.196 . . . . 0.0 109.592 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -138.8 137.87 37.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 111.155 -170.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.12 10.91 5.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.519 1.128 . . . . 0.0 113.879 -169.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.73 123.85 26.29 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.89 -17.36 64.24 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -107.03 -34.03 7.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 113.514 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.0 p -111.73 -15.25 13.46 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 73.54 7.41 5.09 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.925 2.49 . . . . 0.0 113.986 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.94 130.99 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.915 -1.115 . . . . 0.0 111.109 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.35 134.67 7.43 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.87 150.4 61.41 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.926 3.084 . . . . 0.0 111.112 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -65.59 -10.03 31.99 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.7 p -55.97 -23.43 32.3 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.332 1.453 . . . . 0.0 113.091 170.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -79.76 -19.51 48.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 p -178.52 116.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.961 2.104 . . . . 0.0 109.597 -174.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.62 18.07 10.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.353 1.061 . . . . 0.0 113.609 -171.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.97 29.53 0.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.63 1.572 . . . . 0.0 112.739 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.998 2.519 . . . . 0.0 111.288 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.426 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C3'-C2'-C1' 98.087 -3.792 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C5'-C4'-O4' 113.583 3.131 . 0.013 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 O4'-C1'-N19 114.132 5.932 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 103.885 2.651 . 0.026 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 O4'-C1'-N19 112.216 4.016 . 0.41 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 2 O4'-C1'-N19 114.05 5.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 O4'-C1'-N19 112.423 4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . 0.409 " H1'" ' C4 ' ' C' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.24 1 O4'-C1'-N19 114.402 6.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . 0.409 ' C4 ' " H1'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.424 1 O4'-C1'-N19 113.553 5.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 1 C5'-C4'-C3' 107.344 -5.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.296 -3.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -160.39 148.53 16.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.782 1.633 . . . . 0.0 110.813 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.94 136.92 19.85 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-O 118.707 -1.052 . . . . 0.0 112.082 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.96 132.51 18.43 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.202 2.601 . . . . 0.0 111.488 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -77.34 -0.46 25.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.393 1.077 . . . . 0.0 113.838 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 69.38 167.84 0.29 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.588 2.355 . . . . 0.0 110.661 -169.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.563 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 159' ' ' PHE . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.415 ' CE2' ' HB1' ' A' ' 155' ' ' ALA . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.69 153.3 35.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -77.01 38.54 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -167.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.42 155.06 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 127.276 2.23 . . . . 0.0 110.714 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.68 -17.37 63.48 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -66.3 134.35 52.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.69 1.196 . . . . 0.0 111.515 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -149.87 4.79 0.57 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -170.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.24 138.19 53.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.395 1.078 . . . . 0.0 111.685 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.84 8.87 3.04 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 114.027 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -64.4 126.11 89.85 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.021 -1.049 . . . . 0.0 111.758 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.11 137.69 21.8 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.981 2.454 . . . . 0.0 110.211 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.0 mt -116.77 5.68 13.13 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.802 1.241 . . . . 0.0 112.847 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.98 159.09 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.007 2.123 . . . . 0.0 110.633 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 52.3 p -88.02 3.93 47.02 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 125.811 1.644 . . . . 0.0 114.116 -179.309 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.6 m -147.76 154.22 40.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.956 1.302 . . . . 0.0 111.697 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -63.9 133.45 53.31 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.066 1.347 . . . . 0.0 110.543 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -144.5 15.11 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.909 1.284 . . . . 0.0 114.185 -171.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.8 154.68 30.3 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.952 1.701 . . . . 0.0 111.346 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.81 133.44 3.51 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.549 1.54 . . . . 0.0 109.642 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.86 151.94 40.88 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.411 2.741 . . . . 0.0 111.617 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.68 159.99 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.966 1.707 . . . . 0.0 110.818 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.52 120.96 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.961 1.304 . . . . 0.0 109.324 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 -27.69 2.79 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.672 1.606 . . . . 0.0 113.999 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -68.62 4.54 1.37 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.745 2.418 . . . . 0.0 115.665 -170.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 20.22 1.38 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.932 1.693 . . . . 0.0 113.374 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -106.08 -54.91 2.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.493 1.117 . . . . 0.0 111.945 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -134.76 -12.0 2.3 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -172.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 42.3 tpp -161.1 138.29 8.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.026 1.33 . . . . 0.0 111.106 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -108.4 -32.09 7.57 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.79 1.236 . . . . 0.0 113.082 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.5 138.24 44.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.94 -21.72 63.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -172.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -107.08 -33.76 7.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.607 1.163 . . . . 0.0 113.444 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.5 p -101.91 -19.52 15.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.288 1.035 . . . . 0.0 113.216 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 67.53 10.82 8.03 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -83.01 146.38 28.78 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.319 1.048 . . . . 0.0 111.598 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.98 131.32 22.54 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.9 151.61 48.04 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 124.232 3.288 . . . . 0.0 112.611 171.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -55.13 123.87 15.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.194 0.998 . . . . 0.0 111.935 -175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' THR . . . . . 0.613 HG22 ' H ' ' B' ' 119' ' ' ASN . 7.2 m -63.15 -178.28 0.23 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.853 2.461 . . . . 0.0 111.067 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASN . . . . . 0.613 ' H ' HG22 ' B' ' 118' ' ' THR . 27.7 p-10 -59.37 18.98 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 118.693 2.849 . . . . 0.0 118.693 -169.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.36 107.3 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.351 2.261 . . . . 0.0 105.937 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -122.89 34.01 5.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.755 1.222 . . . . 0.0 111.933 -168.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 29.1 tp -70.66 -8.18 49.97 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.125 1.37 . . . . 0.0 112.766 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.415 2.686 . . . . 0.0 110.95 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.563 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 O4'-C1'-N19 111.998 3.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O5'-C5'-C4' 113.556 2.397 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 1 O4'-C1'-N19 113.481 5.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O5'-C5'-C4' 113.297 2.212 . 0.055 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 O4'-C1'-N19 112.401 4.201 . 0.281 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 110.561 2.361 . 0.43 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 114.322 6.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 1 O4'-C1'-N19 115.136 6.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.795 -2.905 . 0.174 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 2 O4'-C1'-N19 113.198 4.998 . 0.29 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.555 3.355 . 0.072 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.701 -0.559 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -159.4 145.19 16.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 111.143 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.16 176.17 45.25 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.68 1.133 . . . . 0.0 113.921 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.71 153.33 59.42 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.801 3.001 . . . . 0.0 112.869 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -79.67 13.05 2.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.899 1.68 . . . . 0.0 114.635 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 75.68 168.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.836 2.455 . . . . 0.0 111.272 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.536 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -66.66 161.78 22.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -71.01 22.79 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.1 m -155.12 155.56 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 128.737 2.815 . . . . 0.0 109.454 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -154.53 158.97 40.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -167.76 178.54 5.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.538 2.335 . . . . 0.0 110.829 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 154.89 37.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.632 1.173 . . . . 0.0 113.199 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.08 -32.67 63.35 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.04 0.936 . . . . 0.0 113.49 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.71 5.21 2.13 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.595 2.358 . . . . 0.0 114.989 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -166.06 141.3 3.91 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 126.126 1.77 . . . . 0.0 110.853 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.75 155.8 35.85 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.466 2.777 . . . . 0.0 112.546 170.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 96.8 mt -132.52 151.05 52.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.257 1.423 . . . . 0.0 110.97 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 96.3 mtp -79.81 -13.16 59.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.157 0.983 . . . . 0.0 113.491 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 67.8 p -166.95 158.56 12.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.54 1.936 . . . . 0.0 111.103 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 126.516 1.926 . . . . 0.0 112.73 -176.701 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -84.97 -12.44 53.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.46 -17.13 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 130.427 3.491 . . . . 0.0 117.233 172.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -163.83 -44.37 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.246 1.418 . . . . 0.0 113.444 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.29 20.98 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.645 1.178 . . . . 0.0 112.616 -172.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.8 160.49 30.01 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.867 1.667 . . . . 0.0 111.539 -175.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.55 150.91 73.06 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.821 3.014 . . . . 0.0 112.715 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.45 -15.29 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . 0.254 35.1 m 50.44 29.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.623 2.369 . . . . 0.0 114.685 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.7 -177.81 26.69 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.784 1.659 . . . . 0.0 113.145 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -163.18 166.15 23.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.759 1.223 . . . . 0.0 112.47 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -159.71 136.94 9.59 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.098 1.759 . . . . 0.0 109.781 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -156.66 137.32 13.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.184 1.393 . . . . 0.0 111.083 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 69.8 p -146.34 168.43 21.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.245 1.818 . . . . 0.0 110.721 -171.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 24.4 ptp -141.61 5.67 1.81 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -151.76 133.27 14.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.758 1.223 . . . . 0.0 111.896 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.47 ' CZ ' " H1'" ' C' ' 7' ' ' ' G' . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.54 123.84 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 9.27 8.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -113.32 -31.0 6.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.644 1.577 . . . . 0.0 113.307 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -116.35 -19.97 9.93 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 66.08 28.99 10.18 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.053 2.541 . . . . 0.0 112.831 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -103.46 162.19 13.24 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.143 0.977 . . . . 0.0 112.975 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' B' ' 44' ' ' TYR 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -48.92 130.61 14.9 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.19 164.14 29.04 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.526 3.484 . . . . 0.0 114.003 -169.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -64.55 156.31 30.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.23 1.412 . . . . 0.0 112.835 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 73.0 p -84.7 -154.04 0.17 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.021 2.129 . . . . 0.0 111.538 -173.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -67.2 -7.31 22.82 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.29 1.436 . . . . 0.0 113.96 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.69 128.16 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.292 1.437 . . . . 0.0 109.494 170.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -140.32 14.85 2.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.274 1.03 . . . . 0.0 113.198 -168.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.61 -0.38 46.75 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.732 1.213 . . . . 0.0 113.499 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.724 2.41 . . . . 0.0 111.227 -178.806 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.536 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 O4'-C1'-N19 111.986 3.786 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 O5'-C5'-C4' 114.018 2.727 . 0.261 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.546 1.992 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.461 3.29 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 1 O4'-C1'-N19 112.752 4.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 113.902 5.702 . 0.322 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.47 " H1'" ' CZ ' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 O4'-C1'-N19 115.865 7.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.927 1 O4'-C1'-N19 115.145 6.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C5'-C4'-C3' 111.853 -2.431 . 0.18 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C5'-C4'-C3' 108.699 -4.534 . 0.227 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.616 3.416 . 0.212 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 O4'-C1'-N19 111.237 3.037 . 0.218 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.64 163.92 10.14 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.887 1.675 . . . . 0.0 111.689 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.18 -179.56 48.87 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.631 1.11 . . . . 0.0 113.638 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.5 137.01 48.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.653 2.902 . . . . 0.0 110.625 176.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -91.58 2.49 56.42 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.064 0.946 . . . . 0.0 113.273 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -93.21 140.18 29.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.408 2.283 . . . . 0.0 109.323 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.489 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 155' ' ' ALA . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.543 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -60.03 141.55 55.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -77.49 39.27 0.26 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -167.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.8 142.76 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.455 2.302 . . . . 0.0 110.362 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -92.67 -10.23 38.01 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -163.68 144.72 8.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.989 1.716 . . . . 0.0 110.717 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -162.75 165.75 25.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.728 1.611 . . . . 0.0 112.726 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -157.85 149.58 21.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.68 1.592 . . . . 0.0 112.153 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.0 162.86 18.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.084 1.753 . . . . 0.0 111.516 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.7 131.19 5.07 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.396 1.478 . . . . 0.0 110.813 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -73.95 140.39 28.56 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.015 2.477 . . . . 0.0 111.065 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.6 tp -162.07 124.86 2.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.196 1.398 . . . . 0.0 110.047 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.1 mmm -105.77 -3.39 22.09 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.413 1.085 . . . . 0.0 113.807 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 15.2 m -78.73 -9.91 59.58 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 128.681 2.792 . . . . 0.0 112.288 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -166.38 -39.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.3 p -144.53 170.6 15.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.534 1.934 . . . . 0.0 111.163 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -152.92 156.75 39.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.422 1.489 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.49 23.25 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.316 1.846 . . . . 0.0 109.934 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.08 147.86 12.96 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.519 1.128 . . . . 0.0 111.4 -169.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.03 75.12 4.72 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.843 3.029 . . . . 0.0 111.093 -173.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.39 117.32 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.628 1.571 . . . . 0.0 108.965 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 m -151.04 156.84 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.738 2.015 . . . . 0.0 110.333 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.9 10.43 84.06 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.046 0.831 . . . . 0.0 114.348 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.2 p -80.77 0.71 33.54 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.889 1.676 . . . . 0.0 114.34 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -154.03 145.31 22.96 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.298 1.839 . . . . 0.0 110.808 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -154.0 135.26 14.07 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.207 1.803 . . . . 0.0 110.401 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -74.86 -26.44 59.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.858 1.263 . . . . 0.0 112.643 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.6 ttt 69.35 -31.39 0.21 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.745 2.818 . . . . 0.0 114.77 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -148.31 -174.45 4.59 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.552 2.341 . . . . 0.0 110.008 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.49 HD12 " H1'" ' C' ' 11' ' ' ' G' . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -166.04 136.63 3.53 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.45 -29.98 66.59 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -107.84 -36.9 6.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 113.45 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.3 p -109.74 -21.89 12.18 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 60.3 25.12 14.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.431 1.892 . . . . 0.0 113.82 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.47 153.38 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -72.8 134.2 81.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -59.31 157.1 32.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.952 3.101 . . . . 0.0 113.236 173.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.05 155.34 40.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.235 1.014 . . . . 0.0 113.082 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 6.0 t -82.21 176.13 9.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.503 1.521 . . . . 0.0 110.668 169.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 49.6 t30 67.02 -30.5 0.16 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.388 2.675 . . . . 0.0 115.418 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.31 133.44 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.097 2.159 . . . . 0.0 108.922 174.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -152.19 18.92 0.66 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.839 0.856 . . . . 0.0 112.608 -169.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.88 140.31 15.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.51 1.524 . . . . 0.0 110.507 -174.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.266 1.826 . . . . 0.0 112.012 -178.344 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.489 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 N19-C1'-C2' 118.527 3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 0 C5'-C4'-C3' 110.691 -3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 O4'-C1'-N19 112.582 4.382 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.543 -3.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C4'-C3' 109.189 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 O4'-C1'-N19 114.245 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 1 O4'-C1'-N19 113.508 5.308 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.411 1 O4'-C1'-N19 112.903 4.703 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C3'-C2'-C1' 105.181 4.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 1 O4'-C1'-N19 112.846 4.646 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.49 " H1'" HD12 ' B' ' 67' ' ' ILE . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 O4'-C1'-N19 113.67 5.47 . 0.054 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 C5'-C4'-C3' 111.649 -2.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.21 123.11 25.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.411 1.085 . . . . 0.0 111.565 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.3 -167.37 39.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.072 1.32 . . . . 0.0 114.795 -173.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 -36.79 1.8 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.437 2.758 . . . . 0.0 112.545 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 43.23 52.42 5.61 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.341 1.856 . . . . 0.0 114.284 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -144.37 157.39 44.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.41 163.28 4.11 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -72.83 148.26 44.65 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 111.125 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 17.0 m -151.76 165.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.435 1.894 . . . . 0.0 111.258 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.79 119.03 10.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.769 -0.582 . . . . 0.0 109.987 168.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -58.48 132.66 54.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.789 0.836 . . . . 0.0 111.753 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -81.78 88.92 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -169.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.44 -15.41 62.59 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -151.52 -32.73 0.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -52.27 -31.49 6.86 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.84 -24.88 60.76 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.219 2.613 . . . . 0.0 114.78 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.2 tp -163.61 106.74 0.98 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.98 1.312 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.2 164.74 27.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 111.842 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.1 m -139.56 6.72 2.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -170.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.66 1.984 . . . . 0.0 113.104 -172.713 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.5 m -123.57 10.11 9.07 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -159.96 141.16 12.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.579 2.351 . . . . 0.0 108.343 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -156.59 145.32 20.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.65 1.18 . . . . 0.0 112.148 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.73 136.73 12.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.721 2.008 . . . . 0.0 109.205 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -143.36 145.49 32.26 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.565 1.146 . . . . 0.0 111.379 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.1 167.9 21.2 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.03 3.153 . . . . 0.0 112.381 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.88 135.49 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.695 1.598 . . . . 0.0 109.725 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -164.94 149.33 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.318 1.447 . . . . 0.0 110.719 -171.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.85 -155.36 14.89 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.859 1.219 . . . . 0.0 113.298 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -158.48 159.55 35.77 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.953 1.701 . . . . 0.0 111.447 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -121.28 140.1 52.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.053 1.341 . . . . 0.0 111.405 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -162.08 138.81 8.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.811 2.045 . . . . 0.0 108.824 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.9 m -130.87 131.98 44.88 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 109.479 -171.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.78 99.76 6.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.369 0.668 . . . . 0.0 110.104 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.89 -79.67 0.44 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.057 1.343 . . . . 0.0 108.192 168.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.479 ' CE1' " H1'" ' C' ' 7' ' ' ' G' . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.52 128.74 34.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -72.63 -16.85 61.71 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.17 -23.56 14.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.272 1.029 . . . . 0.0 113.524 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 61.1 p -127.34 -12.46 5.65 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.627 1.571 . . . . 0.0 114.082 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 69.07 8.42 6.83 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.143 2.177 . . . . 0.0 113.471 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -66.95 149.22 50.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.84 1.256 . . . . 0.0 111.07 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.6 131.36 6.44 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.74 149.73 90.12 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.697 2.932 . . . . 0.0 111.089 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -57.24 113.92 1.95 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.335 1.054 . . . . 0.0 113.464 -169.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 p -96.93 -35.6 10.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.334 1.854 . . . . 0.0 111.55 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -176.34 157.68 1.75 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 128.706 2.802 . . . . 0.0 110.055 169.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -142.84 131.49 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.664 1.586 . . . . 0.0 108.673 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -81.99 -36.22 28.11 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 tt -159.09 -70.92 0.08 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.888 1.275 . . . . 0.0 110.1 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.095 2.158 . . . . 0.0 111.39 -177.674 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.409 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 N19-C1'-C2' 118.025 2.891 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O5'-C5'-C4' 113.304 2.217 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 1 O4'-C1'-N19 113.183 4.983 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C4'-C3' 108.953 2.467 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 O4'-C1'-N19 112.449 4.249 . 0.137 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 1 O4'-C1'-N19 112.783 4.583 . 0.199 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.479 " H1'" ' CE1' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 114.939 6.739 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 2 O4'-C1'-N19 114.092 5.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.774 3.574 . 0.555 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.351 1 C5'-C4'-C3' 107.771 -5.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 112.076 3.876 . 0.183 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 C5'-C4'-C3' 111.568 -2.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.42 4.82 22.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.481 1.512 . . . . 0.0 113.308 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.09 -139.99 11.04 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.745 1.641 . . . . 0.0 111.551 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.75 152.01 37.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.966 3.11 . . . . 0.0 112.9 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -139.41 136.47 34.72 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.136 1.374 . . . . 0.0 110.628 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -103.37 133.88 47.68 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.166 0.986 . . . . 0.0 110.758 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.16 141.22 58.16 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -77.43 50.41 0.79 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.4 m -146.57 157.66 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.924 2.089 . . . . 0.0 111.391 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -145.03 6.62 1.17 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.488 1.515 . . . . 0.0 113.754 -176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 161.63 28.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.465 1.906 . . . . 0.0 111.777 -169.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 43.3 tttm 64.25 16.13 9.88 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.738 1.615 . . . . 0.0 113.903 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -0.38 52.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -160.92 147.29 14.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.347 1.859 . . . . 0.0 110.994 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -163.27 134.47 3.65 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.719 1.608 . . . . 0.0 111.093 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.76 121.43 7.64 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.881 2.387 . . . . 0.0 109.348 170.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 55.8 tp -159.44 137.2 10.09 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 110.637 -171.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -135.02 18.62 3.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.293 1.437 . . . . 0.0 112.566 -170.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 78.1 p -163.08 177.18 9.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.895 1.678 . . . . 0.0 111.724 -169.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.202 1.801 . . . . 0.0 112.059 -177.701 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 p -86.68 -7.47 58.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -139.58 165.55 26.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 0.0 111.061 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -156.2 139.18 15.38 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 0.0 110.812 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.5 14.27 11.9 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.266 1.427 . . . . 0.0 114.054 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.55 -32.73 2.31 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.499 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.43 139.56 71.58 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.117 2.545 . . . . 0.0 112.062 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 m -149.06 153.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.786 1.634 . . . . 0.0 110.971 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.33 -39.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.164 1.386 . . . . 0.0 112.603 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.82 -149.77 38.54 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.027 0.822 . . . . 0.0 113.593 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -162.67 176.76 10.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.209 1.804 . . . . 0.0 110.527 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -155.39 137.32 14.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.98 1.312 . . . . 0.0 111.949 -176.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.52 125.4 5.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.908 2.083 . . . . 0.0 108.876 172.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.6 p -148.72 152.0 35.87 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.789 1.236 . . . . 0.0 111.826 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.1 ttt -162.66 139.08 7.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.779 2.032 . . . . 0.0 109.609 174.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.88 156.3 16.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.196 0.998 . . . . 0.0 111.559 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.405 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -169.35 123.89 0.82 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -70.59 -21.38 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -98.13 -36.08 10.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.228 1.411 . . . . 0.0 113.151 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -103.44 -26.67 12.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.81 0.844 . . . . 0.0 112.623 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 58.34 40.14 24.72 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.752 1.621 . . . . 0.0 113.162 166.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.97 -126.71 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.248 1.019 . . . . 0.0 111.885 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' C8 ' ' C' ' 11' ' ' ' G' . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -41.74 113.59 1.17 Allowed Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -66.45 165.24 25.62 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.682 2.921 . . . . 0.0 113.758 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -134.45 155.35 50.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.838 2.055 . . . . 0.0 109.962 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -53.61 124.84 16.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.112 1.765 . . . . 0.0 111.362 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -144.7 -0.73 0.92 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -169.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 25.1 t 69.84 -56.99 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 128.099 2.559 . . . . 0.0 112.361 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -164.54 136.23 4.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.099 1.759 . . . . 0.0 109.643 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -153.53 126.42 8.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.284 1.434 . . . . 0.0 109.446 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.283 1.833 . . . . 0.0 112.033 -177.43 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.457 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.416 3 O4'-C1'-N19 112.91 4.71 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 0 C4'-C3'-C2' 99.684 -3.016 . 0.275 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 O4'-C1'-N19 112.621 4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C5'-C4'-C3' 109.568 -3.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O4'-C1'-N19 111.828 3.628 . 0.131 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.743 4.543 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.405 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.425 -2.327 1 O4'-C1'-N19 113.683 5.483 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.578 3 O4'-C1'-N19 114.569 6.369 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C5'-C4'-C3' 112.423 -2.051 . 0.159 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 109.719 -3.854 . 0.247 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.403 ' C8 ' ' CZ ' ' B' ' 80' ' ' PHE . . . . . . . . 0 O4'--C4' 1.431 -1.858 1 O4'-C1'-N19 113.622 5.422 . 0.03 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.121 2.921 . 0.296 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.94 174.27 15.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.075 1.75 . . . . 0.0 111.639 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.71 87.97 0.55 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-O 118.134 -1.37 . . . . 0.0 112.027 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.6 156.15 53.96 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.587 2.858 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -146.87 18.21 1.26 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -107.05 143.91 34.49 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.733 1.213 . . . . 0.0 108.769 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.403 ' ND2' ' H42' ' C' ' 3' ' ' ' C' . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.53 149.32 33.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH22 " H2'" ' C' ' 7' ' ' ' G' . 59.3 mtp180 -77.88 58.68 1.95 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.111 0.965 . . . . 0.0 112.414 -170.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.75 150.51 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 127.869 2.468 . . . . 0.0 110.342 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -77.38 -10.8 59.67 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -160.2 161.87 33.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.383 1.473 . . . . 0.0 113.15 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.47 141.29 9.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.108 1.763 . . . . 0.0 110.932 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.2 154.51 25.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.648 1.579 . . . . 0.0 112.312 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -163.88 152.7 13.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.105 1.762 . . . . 0.0 111.22 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -157.35 134.69 6.87 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 125.1 1.36 . . . . 0.0 111.247 -177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.11 141.5 98.19 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.597 2.865 . . . . 0.0 112.612 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.7 1.43 13.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 0.0 113.127 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.4 mtt -147.13 156.19 42.78 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.679 1.992 . . . . 0.0 110.816 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.9 m -76.62 -7.95 56.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.77 2.028 . . . . 0.0 110.346 -177.3 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 m -58.39 140.99 52.71 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.49 1.116 . . . . 0.0 112.748 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -101.29 4.58 41.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.169 1.388 . . . . 0.0 113.621 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.46 -30.24 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.236 2.614 . . . . 0.0 112.932 -169.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.54 -28.87 33.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.918 1.287 . . . . 0.0 112.164 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -141.18 122.12 8.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.772 1.629 . . . . 0.0 110.367 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -66.5 144.72 74.21 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.48 2.787 . . . . 0.0 111.396 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.24 91.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.71 1.204 . . . . 0.0 108.261 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -155.43 153.56 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 127.181 2.192 . . . . 0.0 110.237 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.23 162.39 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.272 0.939 . . . . 0.0 114.11 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.3 p -167.4 165.78 14.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.865 1.666 . . . . 0.0 111.944 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 72.71 161.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.714 2.406 . . . . 0.0 113.802 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.9 138.47 9.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.062 1.745 . . . . 0.0 111.161 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -151.1 157.36 42.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.403 1.881 . . . . 0.0 110.687 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -58.19 142.11 48.47 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.703 1.201 . . . . 0.0 111.723 175.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -80.29 67.01 5.98 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 112.249 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.15 120.87 0.52 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -69.42 -2.19 10.4 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -104.7 -17.62 14.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -139.22 -24.24 0.88 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -174.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 67.05 20.02 10.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.168 2.187 . . . . 0.0 113.144 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -91.65 141.29 28.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.958 1.303 . . . . 0.0 112.332 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -50.34 149.22 5.62 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.96 133.74 57.75 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.291 2.66 . . . . 0.0 111.467 172.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -156.94 171.13 21.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.678 1.591 . . . . 0.0 112.596 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 10.9 p -67.61 131.71 46.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.412 1.085 . . . . 0.0 108.753 168.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -163.99 164.03 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.775 1.23 . . . . 0.0 111.918 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 21.8 m -143.13 148.64 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.933 1.693 . . . . 0.0 110.927 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -94.98 -3.48 48.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.356 1.063 . . . . 0.0 112.914 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -158.23 139.15 13.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.978 1.711 . . . . 0.0 110.089 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.198 1.799 . . . . 0.0 112.067 -178.1 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.428 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 98.408 -3.436 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O5'-C5'-C4' 114.161 2.83 . 0.041 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . 0.403 ' H42' ' ND2' ' A' ' 134' ' ' ASN . . . . . . . . 0 C5'--C4' 1.544 2.591 1 O4'-C1'-N19 112.775 4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 111.527 3.327 . 0.243 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 112.429 4.229 . 0.251 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 O4'-C1'-N19 113.528 5.328 . 0.272 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.554 " H2'" HH22 ' A' ' 177' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 2.358 1 O4'-C1'-N19 114.159 5.959 . 0.048 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 2 O4'-C1'-N19 113.159 4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C3'-C2'-C1' 104.89 3.767 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.441 2 O4'-C1'-N19 113.422 5.222 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-C3' 109.622 -3.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 C5'-C4'-C3' 111.07 -2.954 . 0.444 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.2 -14.27 36.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.122 1.369 . . . . 0.0 114.334 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.82 129.95 2.41 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 125.691 1.615 . . . . 0.0 112.996 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.99 142.45 17.35 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.263 2.642 . . . . 0.0 110.813 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.55 11.66 1.55 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -118.23 146.09 44.52 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.963 1.705 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -149.08 142.28 25.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -78.28 83.28 4.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.838 -0.539 . . . . 0.0 111.838 -169.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.1 m -136.51 167.43 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.637 1.975 . . . . 0.0 111.42 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -153.35 172.39 17.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.358 1.463 . . . . 0.0 113.007 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 70.23 133.73 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.546 2.738 . . . . 0.0 113.043 -174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.2 134.96 55.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.531 1.133 . . . . 0.0 112.423 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -97.46 168.03 10.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.022 1.329 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -155.71 158.78 38.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.701 1.6 . . . . 0.0 111.618 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.55 142.36 94.09 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 123.682 0.793 . . . . 0.0 112.432 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -73.1 161.59 42.9 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.374 2.716 . . . . 0.0 111.146 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 99.4 mt -139.61 127.1 21.57 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.549 1.54 . . . . 0.0 109.465 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 11.6 ttt 65.42 19.08 11.53 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.89 1.676 . . . . 0.0 112.718 -173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 92.8 p -164.17 175.23 10.37 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.642 1.977 . . . . 0.0 111.204 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.648 1.979 . . . . 0.0 112.704 -178.237 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 p -63.93 -16.31 61.18 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 20.3 p -59.37 -17.99 34.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.417 2.287 . . . . 0.0 113.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -79.28 -2.51 41.62 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 171.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.39 -131.69 0.06 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.776 2.031 . . . . 0.0 109.591 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.47 127.97 3.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.86 1.264 . . . . 0.0 111.331 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -64.78 156.69 60.33 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.771 2.981 . . . . 0.0 112.865 171.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.35 133.2 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 110.159 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.53 141.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.735 1.614 . . . . 0.0 110.532 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.72 147.36 18.74 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.763 1.173 . . . . 0.0 112.74 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -134.02 8.57 3.78 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -170.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -145.37 162.62 36.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.182 1.793 . . . . 0.0 111.609 -175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -134.56 142.73 47.05 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.228 1.811 . . . . 0.0 110.594 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.7 p -146.94 170.74 16.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.015 1.726 . . . . 0.0 111.523 -169.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtt -137.77 149.13 46.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.827 1.651 . . . . 0.0 110.197 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.69 25.24 5.05 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.381 1.072 . . . . 0.0 113.46 -169.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -163.86 135.26 4.67 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -63.58 -21.71 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -88.43 -22.68 23.59 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.957 -1.089 . . . . 0.0 112.163 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 81.3 p -142.99 -33.35 0.45 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -169.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 63.94 23.01 13.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.523 1.929 . . . . 0.0 112.329 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -90.37 166.56 13.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.486 1.115 . . . . 0.0 113.339 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -59.51 136.11 89.16 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.3 142.21 69.09 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.986 3.124 . . . . 0.0 113.471 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -69.17 138.28 54.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.458 1.103 . . . . 0.0 111.779 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 5.9 t -76.63 -176.36 3.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.433 1.493 . . . . 0.0 111.691 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.04 72.31 0.42 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.533 1.533 . . . . 0.0 112.403 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.99 59.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.191 1.796 . . . . 0.0 110.499 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -160.25 139.76 11.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.84 1.656 . . . . 0.0 109.542 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 57.2 tp -157.19 139.2 14.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.288 1.435 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.286 1.834 . . . . 0.0 112.044 -178.259 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.47 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.357 2 O4'-C1'-N19 112.83 4.63 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 C4'-C3'-C2' 99.514 -3.186 . 0.198 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O5'-C5'-C4' 113.611 2.436 . 0.023 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 112.359 4.159 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C3'-C2'-C1' 105.196 4.106 . 0.11 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.39 1 O4'-C1'-N19 114.844 6.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 106.179 5.199 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C3'-C2'-C1' 104.803 3.671 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 2 C3'-C2'-C1' 105.874 4.861 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.123 1 C5'-C4'-C3' 108.244 -4.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.353 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -162.68 143.23 9.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.69 1.996 . . . . 0.0 111.338 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.51 8.36 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-O 118.593 -1.115 . . . . 0.0 113.685 174.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -86.76 142.6 6.82 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.985 3.123 . . . . 0.0 110.831 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.6 mmt-85 -145.13 158.85 43.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -148.41 -42.19 0.16 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.698 1.199 . . . . 0.0 113.949 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -82.52 168.7 17.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.496 HH12 " H2'" ' C' ' 7' ' ' ' G' . 45.5 mtp180 -78.29 58.66 2.14 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -167.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.4 145.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 127.065 2.146 . . . . 0.0 109.97 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -77.6 -13.53 59.88 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -173.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -161.4 158.37 26.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.693 1.597 . . . . 0.0 112.891 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -148.29 156.67 42.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.474 1.91 . . . . 0.0 111.033 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -158.02 157.35 32.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.487 1.515 . . . . 0.0 112.544 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -162.55 157.37 22.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.994 1.718 . . . . 0.0 111.368 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' A' ' 185' ' ' PRO . 1.3 tpmt? -158.95 -38.31 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' A' ' 184' ' ' LYS . 50.9 Cg_exo -62.49 157.9 43.93 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 123.161 2.574 . . . . 0.0 113.094 175.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.0 tp -156.15 141.76 17.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.307 1.443 . . . . 0.0 110.213 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -143.15 153.03 42.45 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 111.106 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.8 m -66.78 139.2 57.78 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 112.713 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.61 1.964 . . . . 0.0 111.801 -177.414 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m -80.65 -9.44 59.79 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.2 t -165.27 163.66 20.04 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.784 2.033 . . . . 0.0 110.464 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -163.22 156.09 18.82 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.91 1.684 . . . . 0.0 112.504 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.47 166.93 21.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.41 1.084 . . . . 0.0 111.608 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -159.82 -41.19 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 CA-C-O 117.257 -1.354 . . . . 0.0 113.978 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -66.16 141.34 62.86 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.758 2.306 . . . . 0.0 112.476 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 m -148.53 144.03 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.098 1.759 . . . . 0.0 110.16 177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.66 142.22 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.26 1.424 . . . . 0.0 110.751 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.73 144.34 16.35 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.13 1.348 . . . . 0.0 112.185 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.7 p -163.47 142.52 8.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.174 1.39 . . . . 0.0 110.936 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 67.61 -34.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.908 2.483 . . . . 0.0 113.89 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.25 134.75 14.35 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.141 2.576 . . . . 0.0 108.964 173.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 49.2 m -136.83 133.89 36.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.152 1.781 . . . . 0.0 108.096 -175.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -149.19 24.88 0.91 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.07 0.16 10.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.412 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -157.91 122.97 4.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -10.65 59.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -107.99 -29.55 8.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.823 1.249 . . . . 0.0 113.503 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.6 p -119.61 -20.11 7.84 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.73 14.64 9.24 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.46 1.904 . . . . 0.0 113.286 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -73.27 146.7 45.19 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.141 -0.974 . . . . 0.0 110.311 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -71.72 121.56 84.81 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -76.36 178.42 7.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 124.065 3.177 . . . . 0.0 111.056 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 104.07 0.52 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 99.1 m -94.51 132.66 38.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.435 1.494 . . . . 0.0 110.867 -168.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -143.68 152.48 41.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.063 1.745 . . . . 0.0 110.617 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.63 179.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 127.177 2.191 . . . . 0.0 110.517 -175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.36 -19.03 65.77 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 47.7 tp -85.32 -29.81 24.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.835 1.254 . . . . 0.0 113.024 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.7 2.0 . . . . 0.0 112.047 -174.168 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 O4'-C1'-C2' 101.657 -3.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O5'-C5'-C4' 113.772 2.551 . 0.011 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 1 O4'-C1'-N19 113.046 4.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C3'-C2'-C1' 103.116 1.796 . 0.158 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 112.031 3.831 . 0.229 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 113.878 5.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.496 " H2'" HH12 ' A' ' 177' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 1.948 2 O4'-C1'-N19 115.963 7.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 117.448 9.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C3'-C2'-C1' 104.061 2.846 . 0.465 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 2 O4'-C1'-N19 114.024 5.824 . 0.257 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 1 C5'-C4'-C3' 109.359 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.289 3.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.19 -10.47 30.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.225 1.41 . . . . 0.0 114.47 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.12 159.42 31.19 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.584 1.087 . . . . 0.0 113.428 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.2 154.26 56.83 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 124.048 3.165 . . . . 0.0 111.576 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -76.6 2.73 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -61.09 158.83 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.922 0.889 . . . . 0.0 111.622 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.55 169.01 11.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -80.67 56.86 2.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -166.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 14.3 m -146.76 165.05 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.648 1.979 . . . . 0.0 111.969 -172.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -126.55 4.22 6.84 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.219 1.407 . . . . 0.0 114.04 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.17 160.47 31.14 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.578 176.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.71 -16.6 44.34 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -95.24 -32.69 12.9 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -91.99 131.94 36.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 0.0 112.405 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -143.76 140.47 17.32 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.675 1.59 . . . . 0.0 111.221 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 141.62 32.68 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.481 2.787 . . . . 0.0 110.594 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 56.2 tp -161.75 143.23 11.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.47 1.508 . . . . 0.0 110.149 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.57 131.93 47.59 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.969 0.907 . . . . 0.0 111.423 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.2 t -162.33 147.4 12.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.413 1.485 . . . . 0.0 110.592 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 126.635 1.974 . . . . 0.0 112.887 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.094 -0.403 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -163.27 169.22 19.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.484 1.514 . . . . 0.0 111.159 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -161.1 133.13 5.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.215 2.206 . . . . 0.0 108.582 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -70.45 125.65 27.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.838 0.855 . . . . 0.0 111.578 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.12 -13.2 53.59 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -84.07 140.86 39.99 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 124.126 0.97 . . . . 0.0 111.044 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.27 -29.55 63.92 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.386 2.724 . . . . 0.0 115.054 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t 69.98 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 127.511 2.324 . . . . 0.0 111.07 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -145.9 135.21 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.547 1.539 . . . . 0.0 109.253 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.31 -157.2 23.63 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.939 1.257 . . . . 0.0 113.563 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -164.38 166.2 20.91 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.449 1.1 . . . . 0.0 112.64 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -161.12 128.66 4.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.174 1.79 . . . . 0.0 109.498 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -161.09 -158.39 0.58 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.015 1.726 . . . . 0.0 110.039 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.0 m -81.33 88.0 6.12 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.558 1.143 . . . . 0.0 108.43 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -11.04 60.47 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -70.18 -9.54 56.05 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.68 134.95 57.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -58.39 -23.4 57.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.727 1.611 . . . . 0.0 114.982 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -112.7 -38.55 4.56 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.92 1.288 . . . . 0.0 113.449 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 42.0 p -108.79 -19.32 13.45 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 66.69 13.51 9.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.385 2.274 . . . . 0.0 114.283 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.26 145.37 54.32 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.315 170.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.53 148.58 96.41 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.93 132.81 54.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.244 2.63 . . . . 0.0 110.446 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -69.4 126.64 30.39 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.248 0.547 . . . . 0.0 112.209 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 7.4 t -141.16 3.11 1.75 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.401 1.88 . . . . 0.0 112.912 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -83.0 4.44 25.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.996 1.319 . . . . 0.0 114.223 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.6 t -144.54 136.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 127.489 2.315 . . . . 0.0 107.895 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -158.44 151.73 22.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.063 1.345 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.11 1.94 28.88 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.738 1.215 . . . . 0.0 113.382 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 C-N-CA 127.216 2.206 . . . . 0.0 111.421 -177.42 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.597 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.347 3.147 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O5'-C5'-C4' 114.212 2.866 . 0.32 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 1 O4'-C1'-N19 112.995 4.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.474 0 C5'-C4'-C3' 110.558 -3.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.655 4.455 . 0.272 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 2 C5'-C4'-C3' 107.262 -5.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.675 6.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 104.536 3.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 1 O4'-C1'-N19 113.704 5.504 . 0.259 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.932 0 O4'-C1'-N19 111.926 3.726 . 0.403 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 1 O4'-C1'-N19 112.278 4.078 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -158.5 125.36 4.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.0 1.32 . . . . 0.0 111.248 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 41.98 77.63 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 116.884 -2.064 . . . . 0.0 115.9 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -30.28 20.24 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.458 2.629 . . . . 0.0 114.215 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 61.79 7.9 2.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.081 1.752 . . . . 0.0 115.58 173.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -140.22 142.61 35.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.944 1.698 . . . . 0.0 110.024 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 155' ' ' ALA . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.26 144.06 48.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -75.29 28.65 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.175 0.99 . . . . 0.0 113.532 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.15 149.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.127 2.571 . . . . 0.0 109.277 -168.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.68 141.0 49.91 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.727 1.211 . . . . 0.0 112.971 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -155.44 138.56 15.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.6 1.16 . . . . 0.0 111.695 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -161.72 174.12 13.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.227 1.811 . . . . 0.0 112.055 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -127.5 157.32 40.4 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.432 1.493 . . . . 0.0 111.995 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -158.46 177.25 11.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.038 1.735 . . . . 0.0 111.666 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 145.0 68.29 Favored Pre-proline 0 CA--C 1.556 1.18 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.38 160.41 44.79 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.555 2.837 . . . . 0.0 111.867 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.0 tp -157.06 123.87 5.09 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.641 1.577 . . . . 0.0 109.463 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 92.2 mmm 68.12 164.9 0.23 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.372 2.269 . . . . 0.0 113.11 -171.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 9.5 t -162.58 160.06 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.349 1.459 . . . . 0.0 111.132 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.783 2.033 . . . . 0.0 111.999 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.5 m -61.66 -19.04 61.88 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -54.82 -18.39 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.816 2.046 . . . . 0.0 114.128 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.37 -17.05 60.87 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.485 1.114 . . . . 0.0 113.876 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.2 -13.39 0.47 Allowed 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -171.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.35 -47.31 2.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -81.2 37.92 0.72 Allowed 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.184 2.589 . . . . 0.0 113.088 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.13 46.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.703 1.601 . . . . 0.0 112.132 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.4 m -147.51 151.09 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.735 2.014 . . . . 0.0 111.017 -172.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.29 170.71 42.92 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.555 1.074 . . . . 0.0 114.019 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.6 m -75.09 157.32 34.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.531 1.132 . . . . 0.0 113.306 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -65.97 154.07 40.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.097 0.959 . . . . 0.0 113.068 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -144.8 31.75 1.16 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.6 1.96 . . . . 0.0 110.586 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -105.06 141.36 36.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.656 1.982 . . . . 0.0 111.697 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 170.65 16.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.018 1.727 . . . . 0.0 112.945 177.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -63.65 146.95 52.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.692 0.797 . . . . 0.0 111.097 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.433 HG22 ' H ' ' B' ' 47' ' ' SER . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.433 ' H ' HG22 ' B' ' 46' ' ' THR . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.35 105.28 4.03 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.74 -14.28 51.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.7 -13.86 16.32 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.013 1.325 . . . . 0.0 113.825 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 65.2 p -135.6 -10.66 2.12 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 72.66 16.76 4.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.925 2.49 . . . . 0.0 114.628 169.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 138.45 38.0 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.101 -0.999 . . . . 0.0 111.414 170.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.06 139.29 92.77 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.59 149.6 66.22 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.746 2.964 . . . . 0.0 112.22 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -80.74 136.08 36.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.869 0.868 . . . . 0.0 110.134 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.4 m -52.81 129.08 28.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.536 1.934 . . . . 0.0 112.034 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -161.93 159.06 26.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.864 1.666 . . . . 0.0 111.592 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.05 178.23 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.512 1.925 . . . . 0.0 110.712 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.48 126.35 27.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.505 -0.747 . . . . 0.0 110.287 175.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 46.0 mt 70.99 7.37 6.19 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.086 2.154 . . . . 0.0 114.443 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.515 1.526 . . . . 0.0 112.245 177.357 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.45 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 C5'--C4' 1.539 2.234 2 C3'-C2'-C1' 97.737 -4.181 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 0 C4'-C3'-C2' 99.732 -2.968 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.931 4.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O5'-C5'-C4' 112.851 1.893 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O5'-C5'-C4' 117.005 4.861 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.101 1 O4'-C1'-N19 115.564 7.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 1 O4'-C1'-N19 115.134 6.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.915 2.683 . 0.191 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 1 O4'-C1'-N19 112.714 4.514 . 0.767 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C5'-C4'-C3' 109.578 -3.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.344 0 O5'-C5'-C4' 115.228 3.591 . 0.01 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.35 -28.89 57.02 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.933 0.893 . . . . 0.0 113.318 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.16 157.77 15.39 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.439 1.495 . . . . 0.0 112.5 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.18 145.5 60.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.703 2.935 . . . . 0.0 111.749 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -122.78 11.94 9.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.601 1.561 . . . . 0.0 113.194 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -161.94 145.62 12.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.67 1.588 . . . . 0.0 110.409 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.61 166.05 23.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.446 ' HD3' " H2'" ' C' ' 8' ' ' ' U' . 0.8 OUTLIER -68.55 149.39 49.26 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.457 1.503 . . . . 0.0 109.037 165.209 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.27 27.3 m 53.53 175.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 128.937 2.895 . . . . 0.0 114.713 -169.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -157.96 167.9 28.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.9 2.08 . . . . 0.0 111.812 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -158.08 133.44 8.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.537 1.135 . . . . 0.0 111.398 -174.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -67.82 -25.23 65.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.493 1.117 . . . . 0.0 112.856 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 70.84 -21.79 0.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.739 2.816 . . . . 0.0 116.049 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -154.92 157.52 37.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.671 1.588 . . . . 0.0 111.982 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -161.95 154.92 17.21 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.969 1.707 . . . . 0.0 111.74 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.7 139.27 24.93 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.052 2.501 . . . . 0.0 110.517 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -162.78 155.55 19.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.822 1.649 . . . . 0.0 111.639 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -75.79 -21.53 57.28 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 61.8 p -166.65 152.7 8.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.541 1.536 . . . . 0.0 111.476 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.996 1.718 . . . . 0.0 112.224 -173.782 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -163.04 164.86 25.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.385 1.474 . . . . 0.0 111.251 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -164.74 161.94 20.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.43 1.892 . . . . 0.0 110.788 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -68.55 122.06 17.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.184 0.993 . . . . 0.0 111.543 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.5 162.75 24.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.086 1.754 . . . . 0.0 111.379 -176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -156.59 112.44 2.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.058 1.343 . . . . 0.0 109.695 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -63.43 158.85 43.0 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.925 3.084 . . . . 0.0 113.53 176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.0 t -138.51 122.92 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.314 1.446 . . . . 0.0 108.836 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -165.09 141.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.895 1.678 . . . . 0.0 110.008 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.18 170.93 38.05 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.426 1.012 . . . . 0.0 114.044 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -148.25 157.82 43.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.643 1.577 . . . . 0.0 111.525 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -160.96 152.6 19.45 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.888 1.675 . . . . 0.0 110.639 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.21 152.39 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.559 1.943 . . . . 0.0 110.113 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.5 p -134.44 36.89 3.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.597 1.959 . . . . 0.0 111.709 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 70.8 mtm -61.17 4.68 0.08 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.936 2.094 . . . . 0.0 115.106 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -73.22 -19.49 61.08 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.148 1.779 . . . . 0.0 113.598 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' TYR . . . . . 0.475 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -173.02 123.94 0.42 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttp-105 -74.06 -17.34 60.97 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -103.29 -36.11 8.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.955 1.302 . . . . 0.0 113.272 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -98.37 -27.14 14.23 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.208 0.913 . . . . 0.0 112.223 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 57.48 42.36 24.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.176 1.79 . . . . 0.0 112.541 168.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -130.73 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.515 0.726 . . . . 0.0 111.066 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -61.87 142.26 95.04 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.11 141.94 56.43 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.256 3.304 . . . . 0.0 113.712 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.04 131.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 108.263 -174.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -146.81 163.98 34.28 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.996 1.319 . . . . 0.0 112.362 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -108.43 -1.34 19.95 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.783 1.633 . . . . 0.0 112.918 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 96.5 t -146.62 131.54 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.291 1.436 . . . . 0.0 110.657 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -158.83 146.58 17.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.803 1.641 . . . . 0.0 109.885 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.61 -3.41 58.8 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.927 2.091 . . . . 0.0 111.515 -178.172 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 3 N19-C1'-C2' 120.783 4.614 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 C4'-C3'-C2' 99.403 -3.297 . 0.253 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 O4'-C1'-N19 112.417 4.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O5'-C5'-C4' 112.875 1.911 . 0.217 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 1 O4'-C1'-N19 112.365 4.165 . 0.228 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . 0.475 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 116.135 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . 0.446 " H2'" ' HD3' ' A' ' 177' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.059 1 O4'-C1'-N19 113.181 4.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 110.314 2.114 . 0.119 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 C5'-C4'-C3' 109.142 -4.238 . 0.176 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 0 O4'-C1'-N19 111.272 3.072 . 0.292 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 O4'-C1'-N19 113.035 4.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -161.59 143.89 11.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.744 1.217 . . . . 0.0 112.504 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.29 73.01 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 CA-C-O 117.711 -1.605 . . . . 0.0 115.52 167.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.88 -39.09 54.13 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.403 2.069 . . . . 0.0 110.361 168.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -145.48 157.76 43.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 128.0 2.52 . . . . 0.0 109.341 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -133.68 -32.62 1.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.491 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -61.09 151.03 32.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -74.98 64.66 1.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.526 0.679 . . . . 0.0 112.319 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -146.52 173.29 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 128.135 2.574 . . . . 0.0 110.573 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -149.83 174.81 12.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.216 1.407 . . . . 0.0 112.879 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -153.62 165.09 37.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.261 1.424 . . . . 0.0 112.347 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -130.85 16.41 5.23 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.218 1.407 . . . . 0.0 113.388 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.61 164.2 39.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.962 1.705 . . . . 0.0 112.868 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.0 156.43 31.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.736 1.214 . . . . 0.0 113.322 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.99 151.35 86.16 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.454 1.102 . . . . 0.0 113.522 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -69.54 161.65 45.08 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.428 2.752 . . . . 0.0 111.404 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.9 144.98 20.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.105 1.362 . . . . 0.0 110.506 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.03 151.49 45.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.782 1.633 . . . . 0.0 110.867 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 43.6 p -86.62 -6.38 58.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.788 2.035 . . . . 0.0 112.019 -176.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -164.57 168.17 18.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.349 1.459 . . . . 0.0 111.757 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -146.94 134.54 20.99 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.437 1.495 . . . . 0.0 109.427 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -161.25 138.81 9.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.233 1.413 . . . . 0.0 111.253 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.04 157.92 26.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.722 1.609 . . . . 0.0 111.484 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.22 156.59 16.67 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 126.108 1.763 . . . . 0.0 110.156 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.13 76.52 3.42 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.319 2.679 . . . . 0.0 111.029 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.68 117.73 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.071 0.948 . . . . 0.0 110.131 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.42 8.65 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.597 1.559 . . . . 0.0 112.946 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.2 76.6 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.04 1.305 . . . . 0.0 113.786 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -168.07 136.86 2.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.646 2.378 . . . . 0.0 108.483 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -141.31 39.27 1.74 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.432 1.893 . . . . 0.0 108.602 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.5 170.4 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.695 1.998 . . . . 0.0 112.132 -165.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 30.2 p -80.4 99.68 8.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.626 1.17 . . . . 0.0 110.474 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.4 ttt -76.3 -2.63 32.48 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.116 . . . . 0.0 112.913 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -72.59 9.65 1.03 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.644 1.978 . . . . 0.0 115.634 -169.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -167.2 126.63 1.41 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.38 -23.22 64.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -103.29 -37.04 7.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.897 1.279 . . . . 0.0 113.336 -172.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -96.91 -26.79 14.93 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.998 0.817 . . . . 0.0 112.183 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 58.62 41.58 21.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.022 1.729 . . . . 0.0 112.478 168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.99 -138.6 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.777 0.831 . . . . 0.0 112.109 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -59.23 121.37 55.46 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.6 173.14 11.68 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.157 3.238 . . . . 0.0 111.941 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 68.31 20.45 8.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.109 2.163 . . . . 0.0 113.985 170.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 40.4 p -70.26 -175.86 1.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.543 1.937 . . . . 0.0 111.646 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -74.85 56.33 0.73 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.518 1.527 . . . . 0.0 113.47 -173.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -142.35 138.54 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.226 2.211 . . . . 0.0 109.861 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -157.52 -4.18 0.1 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.72 165.12 28.54 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.177 1.391 . . . . 0.0 112.257 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.709 2.003 . . . . 0.0 111.766 -178.546 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ' U' . . . . . 0.491 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-C2' 101.32 -3.628 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.522 4.322 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.78 4.58 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.364 3.164 . 0.094 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 104.893 3.77 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 114.197 5.997 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 C3'-C2'-C1' 105.065 3.961 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.271 1 O4'-C1'-N19 112.515 4.315 . 0.41 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 114.467 6.267 . 0.48 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.606 0 O5'-C5'-C4' 113.059 2.042 . 0.074 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.323 0.582 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 . . . . . 0 N--CA 1.471 0.604 0 CA-C-O 121.454 0.645 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 120.764 0.316 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 121.332 0.587 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 N--CA 1.471 0.587 0 CA-C-O 120.915 0.388 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp . . . . . 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.439 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.439 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.9 0.381 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 121.289 0.566 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 120.858 0.361 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt . . . . . 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.494 0.664 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.804 0.335 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.506 0.193 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 159' ' ' PHE . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.415 ' CE2' ' HB1' ' A' ' 155' ' ' ALA . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 CA--C 1.54 0.587 0 CA-C-O 120.995 0.426 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.042 0.448 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 120.841 0.353 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' B' ' 75' ' ' SER . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' B' ' 44' ' ' TYR 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 155' ' ' ALA . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.543 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.821 0.343 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 121.587 0.708 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.18 0.515 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 120.816 0.341 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 121.299 0.571 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm . . . . . 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp . . . . . 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 121.062 0.458 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt . . . . . 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 155' ' ' ALA . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 121.508 0.671 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.433 HG22 ' H ' ' B' ' 47' ' ' SER . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.433 ' H ' HG22 ' B' ' 46' ' ' THR . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.853 0.358 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.545 0.78 0 CA-C-O 120.288 0.09 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 CA--C 1.554 1.116 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -161.61 144.85 12.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.645 1.578 . . . . 0.0 111.121 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.12 -177.47 48.39 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.548 1.07 . . . . 0.0 113.925 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -66.84 143.91 68.83 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.963 3.108 . . . . 0.0 113.066 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.92 -4.5 58.25 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.636 1.174 . . . . 0.0 113.663 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -98.66 136.42 38.75 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.152 2.181 . . . . 0.0 109.014 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.33 143.72 50.95 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.296 1.838 . . . . 0.0 108.962 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -96.5 151.45 19.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.785 1.634 . . . . 0.0 110.014 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.36 130.77 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.313 1.445 . . . . 0.0 109.124 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -132.19 161.03 34.38 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.816 1.247 . . . . 0.0 113.246 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 65.02 20.06 11.99 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.266 2.226 . . . . 0.0 113.179 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.16 142.49 36.99 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 126.028 1.731 . . . . 0.0 110.665 169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.9 151.63 77.95 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.43 2.087 . . . . 0.0 112.031 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -51.76 -27.14 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.248 1.819 . . . . 0.0 115.057 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -121.89 114.45 21.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.359 1.463 . . . . 0.0 109.515 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -161.87 159.54 26.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.891 1.276 . . . . 0.0 111.571 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.21 168.56 19.47 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.423 1.489 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -67.06 -41.52 35.71 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.461 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.99 -22.94 62.01 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 122.619 2.212 . . . . 0.0 113.634 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.8 -29.72 68.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.229 0.611 . . . . 0.0 111.367 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.1 tp -92.1 -35.52 13.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.845 1.258 . . . . 0.0 111.31 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -54.89 -51.08 67.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.817 0.847 . . . . 0.0 110.433 171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.85 -25.18 67.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 87.0 mtp -66.16 -52.4 48.66 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.735 0.698 . . . . 0.0 111.389 170.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.63 -23.61 45.75 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -57.81 -18.49 22.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 171.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -73.63 -9.65 58.89 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.511 -1.368 . . . . 0.0 114.611 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.5 m -124.5 3.33 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 125.263 1.425 . . . . 0.0 114.111 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 144.24 169.53 13.09 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.817 1.199 . . . . 0.0 112.857 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.7 130.07 13.25 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.041 2.494 . . . . 0.0 112.48 -172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.98 137.25 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.539 1.936 . . . . 0.0 109.146 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.08 -34.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 124.973 1.309 . . . . 0.0 112.011 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -149.45 167.33 26.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 110.916 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.53 139.48 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 126.194 1.797 . . . . 0.0 108.591 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -134.61 124.46 25.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.809 0.844 . . . . 0.0 110.419 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.3 mm -127.72 129.03 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 34.8 mm -100.85 143.67 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.07 0.548 . . . . 0.0 109.863 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -129.32 133.94 47.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.896 1.278 . . . . 0.0 109.809 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -156.57 115.25 3.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.067 0.947 . . . . 0.0 111.882 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.73 -44.14 0.57 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.568 2.747 . . . . 0.0 114.61 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -164.68 116.53 1.24 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.912 2.085 . . . . 0.0 108.804 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.42 -154.35 34.37 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.192 0.901 . . . . 0.0 113.427 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.8 p -72.04 158.54 35.78 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.106 -0.644 . . . . 0.0 111.873 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -73.72 7.79 2.28 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.747 -1.221 . . . . 0.0 112.05 169.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.18 5.7 87.38 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 125.926 1.726 . . . . 0.0 115.299 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -151.63 169.17 22.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.78 1.79 . . . . 0.0 114.052 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.32 -172.5 29.83 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.905 1.24 . . . . 0.0 115.351 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -140.52 169.55 17.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.63 1.972 . . . . 0.0 110.316 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.7 147.24 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.617 1.167 . . . . 0.0 111.195 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 24.6 m -126.06 125.43 42.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 0.0 109.939 -176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 96.6 mmm -98.92 166.78 11.12 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.911 1.284 . . . . 0.0 111.717 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.82 -31.48 69.39 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.62 -0.675 . . . . 0.0 112.042 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -143.17 134.09 12.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 110.47 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.77 -28.03 11.94 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.116 2.544 . . . . 0.0 113.217 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.14 -17.65 60.9 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.577 1.151 . . . . 0.0 113.494 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -95.2 -10.41 30.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.149 1.38 . . . . 0.0 113.103 169.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.12 -58.68 3.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.457 0.703 . . . . 0.0 110.171 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.57 -17.76 3.64 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.93 -37.64 80.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 0.0 112.533 170.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.11 32.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.189 0.995 . . . . 0.0 111.534 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -52.15 -47.32 65.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.508 1.123 . . . . 0.0 111.349 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -60.16 -17.11 38.46 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -100.12 -57.19 2.18 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.808 1.243 . . . . 0.0 111.195 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -75.3 -5.44 44.69 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -172.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -95.14 125.39 39.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.603 1.092 . . . . 0.0 111.801 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.87 36.2 33.17 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.516 -0.602 . . . . 0.0 113.185 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -131.86 167.05 20.26 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.518 1.527 . . . . 0.0 111.348 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.0 m -140.03 134.69 31.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.817 2.447 . . . . 0.0 107.315 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.2 mt -128.43 -64.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -130.64 76.84 1.75 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.612 1.165 . . . . 0.0 110.219 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.38 6.36 53.79 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.708 1.146 . . . . 0.0 114.714 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -148.76 144.9 27.33 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.453 1.901 . . . . 0.0 111.356 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -67.22 160.89 26.03 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.648 1.579 . . . . 0.0 110.146 168.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.89 140.21 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.932 1.693 . . . . 0.0 107.325 168.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -148.97 132.53 16.75 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.123 1.369 . . . . 0.0 108.325 -171.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 81.1 t -149.01 138.83 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.303 1.441 . . . . 0.0 109.831 -167.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -159.62 163.0 35.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.808 0.843 . . . . 0.0 112.579 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.8 mt -51.74 147.02 7.13 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.047 1.739 . . . . 0.0 112.405 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.89 -178.6 6.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.443 1.097 . . . . 0.0 112.48 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.0 t -139.57 136.93 34.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.04 1.336 . . . . 0.0 110.075 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -66.84 159.85 27.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.866 1.266 . . . . 0.0 112.343 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -67.99 131.44 45.47 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.287 1.9 m 76.29 135.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 129.87 3.268 . . . . 0.0 111.026 -168.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -122.29 8.59 9.7 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -167.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.47 135.2 57.59 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.036 0.934 . . . . 0.0 112.63 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.71 155.18 44.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.143 1.777 . . . . 0.0 111.591 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.23 -25.76 58.39 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.55 23.69 13.71 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.632 1.973 . . . . 0.0 114.786 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -154.17 155.2 30.77 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.849 1.26 . . . . 0.0 113.41 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -73.74 169.32 22.64 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.5 2.8 . . . . 0.0 110.963 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 163.78 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 76.8 mtm -95.95 -13.84 23.54 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.8 t -166.72 147.84 6.09 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.892 1.677 . . . . 0.0 110.544 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.366 1.866 . . . . 0.0 112.355 -174.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.1 p -159.45 154.13 24.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.009 1.323 . . . . 0.0 111.741 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -168.77 171.8 8.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.551 1.94 . . . . 0.0 110.632 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -157.92 152.14 24.46 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.134 1.774 . . . . 0.0 111.709 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.58 168.24 20.27 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.739 1.615 . . . . 0.0 111.795 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.87 132.13 94.72 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.3 1.04 . . . . 0.0 110.503 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -71.33 134.3 24.46 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.201 2.6 . . . . 0.0 111.339 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -152.41 160.96 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.796 2.039 . . . . 0.0 110.226 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 m -139.69 141.25 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.069 1.348 . . . . 0.0 111.091 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.02 -4.13 72.37 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.68 1.133 . . . . 0.0 114.737 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.0 p -60.0 -15.88 26.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.75 1.62 . . . . 0.0 115.117 -173.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -69.85 -23.34 63.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.957 1.303 . . . . 0.0 113.247 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -138.67 -16.82 1.13 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -172.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 20.8 m -138.49 112.93 8.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.834 2.053 . . . . 0.0 107.532 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.88 67.59 0.44 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.859 0.864 . . . . 0.0 111.112 -170.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -106.44 -20.92 13.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.455 1.102 . . . . 0.0 113.428 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.1 p -81.44 18.29 1.19 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 113.472 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.48 135.9 34.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.017 1.327 . . . . 0.0 111.18 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -142.48 121.19 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.49 1.116 . . . . 0.0 112.075 -169.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -67.51 152.66 45.28 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 110.742 167.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.0 t -141.12 139.27 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.41 1.084 . . . . 0.0 110.106 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.21 -134.35 7.26 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.086 1.803 . . . . 0.0 111.42 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.3 -148.65 50.25 Favored Glycine 0 N--CA 1.471 0.986 0 CA-C-N 117.888 0.844 . . . . 0.0 113.874 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt 70.15 136.3 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 127.934 2.494 . . . . 0.0 114.908 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -56.85 -5.17 1.13 Allowed 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 125.027 3.818 . . . . 0.0 117.087 170.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 84.37 -31.33 0.07 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.797 2.439 . . . . 0.0 112.99 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -78.5 4.05 14.33 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.119 1.368 . . . . 0.0 113.909 169.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 17.3 p -68.95 176.5 3.09 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 129.015 2.926 . . . . 0.0 113.262 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 41.8 m -132.07 173.01 11.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.858 1.663 . . . . 0.0 111.245 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -58.4 -25.22 61.87 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -88.44 -2.83 58.81 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 24.1 m -73.97 -57.11 4.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.415 1.486 . . . . 0.0 110.48 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.03 -47.1 16.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -70.54 -7.33 43.01 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.17 -5.02 47.53 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.021 1.329 . . . . 0.0 112.413 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -119.87 175.24 5.99 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 126.342 1.857 . . . . 0.0 111.228 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 73.45 -6.98 1.64 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.509 2.724 . . . . 0.0 114.614 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.29 62.66 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.134 2.174 . . . . 0.0 112.94 175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -81.41 -4.45 55.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.778 1.631 . . . . 0.0 114.199 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -100.79 -14.75 17.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.582 1.153 . . . . 0.0 113.654 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 -132.93 4.06 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 125.18 1.371 . . . . 0.0 111.802 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -107.56 138.85 43.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.048 1.339 . . . . 0.0 110.287 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -100.57 130.12 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.18 -58.86 3.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.813 0.845 . . . . 0.0 109.26 175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -162.87 147.85 11.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.485 1.514 . . . . 0.0 109.273 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.93 35.97 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.618 1.167 . . . . 0.0 111.124 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -144.09 144.71 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.384 1.474 . . . . 0.0 111.313 -172.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.99 143.5 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 109.304 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 31.5 mm -85.71 109.78 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.7 p -123.21 162.21 23.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.429 1.491 . . . . 0.0 114.752 -165.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.23 130.7 42.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.009 1.724 . . . . 0.0 111.391 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 3.23 36.58 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 -173.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -112.78 -21.06 11.39 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.019 1.328 . . . . 0.0 113.383 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -130.55 -13.08 3.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.839 1.656 . . . . 0.0 114.492 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 67.79 11.66 8.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.634 1.973 . . . . 0.0 112.751 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -72.33 145.96 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.275 -0.89 . . . . 0.0 112.192 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -67.99 142.45 55.95 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.067 0.947 . . . . 0.0 113.051 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -84.03 1.84 41.93 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.112 0.965 . . . . 0.0 111.658 168.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.67 36.25 16.93 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.997 1.76 . . . . 0.0 112.66 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -164.87 144.28 6.98 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.975 1.31 . . . . 0.0 112.762 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.52 -177.4 18.43 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.38 1.467 . . . . 0.0 113.524 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -146.94 131.6 17.86 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 126.186 1.795 . . . . 0.0 110.517 -170.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.62 147.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.067 1.747 . . . . 0.0 108.393 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.1 m -132.83 131.57 41.17 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 88.0 mmm -98.85 151.83 20.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.709 0.804 . . . . 0.0 112.055 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -66.68 -36.54 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -136.87 160.07 39.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.524 1.529 . . . . 0.0 112.101 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.67 -36.39 84.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.792 0.837 . . . . 0.0 112.717 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.46 91.23 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.927 0.785 . . . . 0.0 111.665 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.1 m -65.38 -27.57 68.65 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.03 0.932 . . . . 0.0 112.777 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.29 26.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.235 1.014 . . . . 0.0 112.547 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.675 0.79 . . . . 0.0 111.769 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -65.94 -37.95 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.639 1.176 . . . . 0.0 112.427 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.19 -31.39 72.2 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.495 0.589 . . . . 0.0 112.27 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.2 m -89.34 2.26 54.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.384 1.474 . . . . 0.0 114.233 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -56.61 -57.76 10.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.081 1.352 . . . . 0.0 111.13 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.25 109.43 40.65 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.98 1.712 . . . . 0.0 106.65 169.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -88.92 19.12 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.766 2.978 . . . . 0.0 114.582 -166.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -135.36 53.07 8.01 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.35 141.83 16.28 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.549 2.166 . . . . 0.0 115.242 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 36.5 mm -57.8 131.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.82 1.248 . . . . 0.0 108.993 164.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -138.89 118.73 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 57.48 28.41 15.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.762 1.625 . . . . 0.0 113.783 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.75 9.1 63.04 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.951 1.262 . . . . 0.0 115.286 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.65 130.85 26.6 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.445 1.498 . . . . 0.0 110.258 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -72.2 129.43 38.44 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.977 -1.077 . . . . 0.0 113.677 -172.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -112.03 137.07 50.57 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.767 2.027 . . . . 0.0 109.75 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -90.74 146.82 23.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.761 0.71 . . . . 0.0 111.048 171.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.41 146.23 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.473 1.909 . . . . 0.0 109.568 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -168.9 170.14 9.28 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.95 2.1 . . . . 0.0 110.544 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.6 mt -83.19 19.71 1.41 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 64.8 -23.47 0.08 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.482 3.513 . . . . 0.0 116.826 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -62.13 -12.3 18.88 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -173.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.1 -21.66 63.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.24 1.416 . . . . 0.0 112.153 169.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.42 -82.49 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 126.522 2.01 . . . . 0.0 111.789 171.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.68 165.19 0.23 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 130.105 3.362 . . . . 0.0 114.672 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 164.19 18.19 Favored Pre-proline 0 CA--C 1.556 1.211 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -54.1 155.18 15.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 124.732 3.621 . . . . 0.0 114.222 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -156.35 174.01 16.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.417 1.487 . . . . 0.0 113.304 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.2 p -68.09 166.52 15.88 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.362 1.865 . . . . 0.0 112.083 176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -58.17 124.68 20.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.832 0.853 . . . . 0.0 112.729 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.12 131.83 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.334 1.854 . . . . 0.0 109.111 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -138.17 10.83 2.81 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.158 0.983 . . . . 0.0 113.009 -169.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 58.1 tp -157.58 137.87 12.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.655 1.582 . . . . 0.0 110.347 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.276 1.83 . . . . 0.0 112.047 -178.127 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 N19-C1'-C2' 118.047 2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 100.326 -2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 112.632 1.737 . 0.159 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 1 O5'-C5'-C4' 116.096 4.212 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 1 O4'-C1'-N19 114.333 6.133 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 1 O4'-C1'-N19 114.899 6.699 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.543 1.711 1 O4'-C1'-N19 115.556 7.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.255 3.061 . 0.094 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 2 O4'-C1'-N19 112.961 4.761 . 0.769 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 C5'-C4'-C3' 108.758 -4.494 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 O4'-C1'-N19 110.286 2.086 . 0.417 4p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -161.52 156.81 23.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.42 1.488 . . . . 0.0 111.708 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.36 170.7 54.87 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.442 1.02 . . . . 0.0 112.937 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.72 -24.2 7.52 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.122 2.548 . . . . 0.0 113.644 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 66.15 -9.94 0.27 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.448 2.299 . . . . 0.0 115.544 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -101.59 149.36 24.19 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.344 1.858 . . . . 0.0 109.676 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.05 145.93 51.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.182 2.593 . . . . 0.0 108.65 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -94.46 144.84 25.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.138 1.775 . . . . 0.0 109.208 168.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.04 125.04 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 124.958 1.303 . . . . 0.0 108.567 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 t -127.14 162.21 26.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.687 1.595 . . . . 0.0 111.565 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 65.65 25.75 11.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.173 1.389 . . . . 0.0 112.145 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.71 145.75 87.42 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.68 1.992 . . . . 0.0 110.7 170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.22 154.19 66.14 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.7 2.266 . . . . 0.0 111.955 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.549 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 1.3 m-30 -51.35 -47.02 62.87 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.441 1.097 . . . . 0.0 113.601 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -97.92 110.43 23.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.065 0.946 . . . . 0.0 109.88 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -159.17 155.7 27.64 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -173.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -144.9 166.23 25.86 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.164 1.786 . . . . 0.0 111.024 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.29 -39.19 9.71 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 117.162 -1.399 . . . . 0.0 114.282 -169.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -63.7 -26.55 68.56 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.375 2.05 . . . . 0.0 113.513 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -82.71 -16.74 46.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.367 0.667 . . . . 0.0 112.462 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.8 tp -85.06 -39.56 17.84 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.231 0.612 . . . . 0.0 110.663 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.1 m -55.5 -51.98 65.21 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.019 0.827 . . . . 0.0 109.929 169.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.77 74.21 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 10.5 mmm -59.66 -40.03 86.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.845 0.858 . . . . 0.0 112.814 174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -90.83 -23.57 20.54 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.22 -21.13 31.5 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.02 0.827 . . . . 0.0 112.956 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.38 -17.75 59.88 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -135.45 1.75 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.152 1.381 . . . . 0.0 114.527 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.24 -179.62 30.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.224 0.916 . . . . 0.0 115.125 169.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -67.58 131.53 24.75 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.567 2.845 . . . . 0.0 112.262 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.1 t -108.89 134.21 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.655 1.582 . . . . 0.0 108.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.56 -25.47 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.396 1.478 . . . . 0.0 112.597 -169.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.91 164.09 20.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.424 1.889 . . . . 0.0 109.826 -174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.77 148.37 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.45 1.9 . . . . 0.0 109.085 -168.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -141.56 122.37 14.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.06 0.944 . . . . 0.0 110.497 -172.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.23 127.82 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.982 1.313 . . . . 0.0 107.807 171.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 39.5 mm -95.93 160.31 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.518 1.127 . . . . 0.0 109.632 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -137.61 154.09 49.8 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.509 1.124 . . . . 0.0 110.906 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -153.83 -179.41 7.81 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.655 1.582 . . . . 0.0 110.048 -172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.12 125.0 20.74 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.144 -0.973 . . . . 0.0 108.925 168.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 65.41 77.51 0.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.982 2.113 . . . . 0.0 112.771 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 84.58 -174.56 50.3 Favored Glycine 0 N--CA 1.472 1.081 0 C-N-CA 124.85 1.214 . . . . 0.0 115.68 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.28 139.86 57.31 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.368 1.067 . . . . 0.0 110.957 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -65.53 140.92 58.6 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.753 0.821 . . . . 0.0 110.129 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.1 10.34 0.61 Allowed Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.149 2.019 . . . . 0.0 118.149 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -144.95 165.91 26.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.198 1.999 . . . . 0.0 112.659 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -157.08 -168.05 19.09 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 125.112 1.339 . . . . 0.0 114.388 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -139.0 166.97 23.11 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.882 1.673 . . . . 0.0 110.247 176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.35 146.85 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.54 1.136 . . . . 0.0 111.129 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.3 m -129.84 130.71 45.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.839 1.255 . . . . 0.0 110.394 -169.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.0 mtp -118.09 160.22 21.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.096 1.358 . . . . 0.0 111.618 -172.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.82 -35.48 78.7 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -137.01 145.81 52.06 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.482 1.513 . . . . 0.0 111.279 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.17 -20.31 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.1 2.533 . . . . 0.0 113.806 -171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.07 -33.12 67.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.811 1.187 . . . . 0.0 112.385 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.66 -32.35 67.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 174.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.91 58.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 112.246 175.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.28 -34.01 37.26 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.935 0.494 . . . . 0.0 111.117 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -68.91 -36.22 77.77 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.361 0.664 . . . . 0.0 111.605 169.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.9 79.55 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.25 0.62 . . . . 0.0 111.332 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -57.13 -44.13 83.05 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.629 0.772 . . . . 0.0 112.147 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.2 -20.48 66.14 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -97.96 -60.3 1.59 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.016 0.926 . . . . 0.0 111.301 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.24 -4.46 39.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -169.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -98.84 129.07 45.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.441 1.019 . . . . 0.0 111.995 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 70.52 48.16 38.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 t -146.08 167.18 24.03 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.056 1.342 . . . . 0.0 111.976 -174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 40.4 m -124.59 134.03 53.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.53 1.932 . . . . 0.0 108.523 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.55 130.77 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.326 1.45 . . . . 0.0 108.31 -176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 50.83 24.72 1.86 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.676 1.99 . . . . 0.0 115.606 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 105.51 8.72 34.73 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.92 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -145.33 154.1 41.97 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.788 1.794 . . . . 0.0 113.571 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -66.45 147.66 52.97 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.563 1.145 . . . . 0.0 111.343 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 41.3 t -134.49 140.93 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.337 1.855 . . . . 0.0 109.37 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -142.48 132.81 24.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.034 1.733 . . . . 0.0 109.261 -171.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 86.2 t -151.05 139.6 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 125.177 1.391 . . . . 0.0 110.85 -168.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -157.98 163.51 37.72 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 95.8 mt -48.56 149.13 1.76 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 112.661 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.03 -174.23 3.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.354 1.062 . . . . 0.0 112.855 -174.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 15.0 t -144.95 135.89 24.76 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.343 1.457 . . . . 0.0 110.577 -174.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -71.46 153.98 41.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.688 1.195 . . . . 0.0 111.198 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -75.9 29.85 0.11 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -169.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 25.3 m -155.8 177.04 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 129.125 2.97 . . . . 0.0 108.925 -171.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -47.85 131.5 15.06 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.442 1.097 . . . . 0.0 113.594 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -167.48 142.34 3.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.574 1.55 . . . . 0.0 111.314 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -153.71 104.81 2.73 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.66 1.184 . . . . 0.0 110.095 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 156.74 28.16 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -164.14 168.56 18.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.578 1.551 . . . . 0.0 111.873 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.54 126.79 90.33 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 123.844 0.857 . . . . 0.0 111.925 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.68 145.12 25.62 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 123.13 2.553 . . . . 0.0 110.419 169.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.8 tp -157.79 135.51 10.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.284 1.034 . . . . 0.0 111.138 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 17.1 tpt -165.78 -49.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 110.964 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 66.7 m -145.44 146.66 31.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.519 1.528 . . . . 0.0 110.787 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.273 1.829 . . . . 0.0 112.027 -176.728 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.5 p -161.84 166.33 26.51 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.3 1.44 . . . . 0.0 111.781 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -144.31 147.97 34.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -172.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -110.09 7.16 23.4 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.817 1.647 . . . . 0.0 113.568 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -162.9 173.19 14.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.702 2.401 . . . . 0.0 110.188 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.85 137.89 26.52 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 124.728 1.211 . . . . 0.0 110.814 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.44 160.53 25.66 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.772 2.982 . . . . 0.0 111.984 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 p -161.05 132.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.455 1.502 . . . . 0.0 109.763 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -150.84 151.87 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.722 1.609 . . . . 0.0 111.116 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -134.99 7.31 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.185 1.374 . . . . 0.0 111.891 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 24.8 t -155.69 153.77 30.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.011 1.325 . . . . 0.0 111.239 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -92.41 -8.8 43.8 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.819 1.248 . . . . 0.0 113.773 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -161.3 146.15 13.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.078 1.351 . . . . 0.0 112.157 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.3 m -68.95 139.39 55.06 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.568 1.547 . . . . 0.0 110.615 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 27.6 ttt -152.97 144.61 23.46 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.941 1.296 . . . . 0.0 111.377 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -134.75 150.46 50.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.82 1.648 . . . . 0.0 109.659 172.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 74.7 p -111.7 2.95 17.48 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -167.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -41.55 139.87 1.04 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -171.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -144.37 129.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 127.595 2.358 . . . . 0.0 110.064 -168.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -66.03 155.45 36.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.087 1.355 . . . . 0.0 111.772 169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.43 146.27 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.769 1.228 . . . . 0.0 110.137 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.11 -131.09 7.18 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.045 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.63 -167.87 54.06 Favored Glycine 0 N--CA 1.471 1.007 0 CA-C-N 118.057 0.929 . . . . 0.0 114.368 168.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.4 mt 67.77 150.46 0.12 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 127.99 2.516 . . . . 0.0 114.519 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.59 -3.27 13.17 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.745 2.964 . . . . 0.0 114.048 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 96.9 -33.96 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.872 3.269 . . . . 0.0 112.297 169.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -78.07 0.59 24.03 Favored 'General case' 0 CA--C 1.555 1.14 0 O-C-N 120.187 -1.571 . . . . 0.0 114.921 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.4 p -85.74 168.17 14.59 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 128.291 2.636 . . . . 0.0 112.214 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 21.5 m -116.42 175.11 5.71 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.45 -30.07 64.73 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -171.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.43 -21.02 49.83 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 120.969 -1.082 . . . . 0.0 113.525 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 29.2 m -63.62 -37.84 88.85 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.499 1.12 . . . . 0.0 112.92 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tp -73.95 -41.06 62.58 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.213 0.915 . . . . 0.0 112.546 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -56.42 -38.36 71.46 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.801 0.841 . . . . 0.0 111.77 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -58.53 -22.72 56.32 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.639 1.576 . . . . 0.0 114.045 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -86.47 -52.53 5.53 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.063 -1.023 . . . . 0.0 111.832 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -72.75 -17.93 61.55 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.66 -20.23 64.61 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.345 1.458 . . . . 0.0 112.193 171.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -81.63 -4.93 57.45 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.547 1.139 . . . . 0.0 113.122 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -98.74 -12.57 20.82 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.75 -121.63 1.04 Allowed Glycine 0 N--CA 1.466 0.68 0 CA-C-N 118.751 0.705 . . . . 0.0 113.182 -172.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -137.74 134.17 34.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.398 1.879 . . . . 0.0 109.496 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -96.56 142.69 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.335 1.454 . . . . 0.0 112.295 -168.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.44 -28.53 11.27 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.431 1.892 . . . . 0.0 113.448 171.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -174.74 100.79 0.09 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.048 2.139 . . . . 0.0 109.037 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.31 118.44 27.55 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.879 0.872 . . . . 0.0 109.49 172.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -150.15 164.83 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.188 1.395 . . . . 0.0 111.16 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.5 t -112.16 140.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.247 1.419 . . . . 0.0 107.549 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 18.4 mm -78.14 114.82 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.7 p -126.9 -112.75 0.28 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.241 1.016 . . . . 0.0 113.104 -165.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.8 t70 178.82 125.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 128.634 2.774 . . . . 0.0 108.3 -168.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -75.51 0.71 16.32 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -172.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -106.45 -41.64 5.24 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.63 -1.293 . . . . 0.0 113.335 175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -97.35 -35.69 10.63 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.721 1.209 . . . . 0.0 112.326 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 72.47 18.63 4.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.77 2.428 . . . . 0.0 112.457 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -94.8 144.72 25.41 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.155 0.982 . . . . 0.0 113.533 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -55.86 143.53 31.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -98.49 15.85 23.62 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.231 2.612 . . . . 0.0 110.96 170.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.73 -12.12 69.04 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 128.155 2.788 . . . . 0.0 115.232 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -146.84 160.25 42.51 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.272 1.536 . . . . 0.0 114.256 -172.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.37 -170.6 13.21 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.843 1.687 . . . . 0.0 113.782 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -143.09 143.73 31.96 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 126.418 1.887 . . . . 0.0 110.033 -176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -133.45 143.35 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.896 1.678 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -151.83 135.65 16.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.914 2.086 . . . . 0.0 106.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.1 mmm -124.02 151.62 43.54 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 112.903 -168.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -62.29 -37.13 84.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.233 1.413 . . . . 0.0 114.47 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.94 157.86 44.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.334 1.454 . . . . 0.0 112.708 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -53.1 -41.97 65.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.278 1.431 . . . . 0.0 113.455 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.89 94.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.258 0.935 . . . . 0.0 112.361 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -65.49 -38.27 89.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.797 0.839 . . . . 0.0 111.273 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.15 -30.52 66.56 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.61 0.966 . . . . 0.0 113.61 174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.32 -38.85 81.97 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.335 0.971 . . . . 0.0 111.608 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.46 -30.92 71.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.567 0.747 . . . . 0.0 112.105 172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.66 -1.33 33.82 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 124.913 1.285 . . . . 0.0 114.181 169.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 89.6 m -108.84 11.18 26.32 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.454 1.902 . . . . 0.0 113.26 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -44.33 -26.19 0.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.811 2.893 . . . . 0.0 118.811 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -159.59 148.3 13.91 Favored Pre-proline 0 C--N 1.322 -0.602 0 C-N-CA 127.238 2.215 . . . . 0.0 110.455 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -80.91 -21.87 6.59 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.303 2.002 . . . . 0.0 113.979 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -146.92 71.51 12.35 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.799 1.64 . . . . 0.0 111.404 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -87.98 144.45 6.18 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.198 2.599 . . . . 0.0 113.291 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 32.6 mm -56.64 127.63 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.655 0.782 . . . . 0.0 109.233 164.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.51 108.0 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.067 1.347 . . . . 0.0 107.859 174.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t0 59.4 39.07 22.55 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.761 2.025 . . . . 0.0 113.802 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.02 11.21 65.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.491 1.043 . . . . 0.0 115.151 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -137.82 136.5 37.26 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.806 1.642 . . . . 0.0 109.324 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -77.88 133.87 38.04 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.306 -0.871 . . . . 0.0 112.579 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.23 -164.0 1.1 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.926 1.69 . . . . 0.0 112.216 -175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -157.55 126.65 5.83 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.974 1.709 . . . . 0.0 108.746 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.0 t -116.35 134.48 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.339 1.456 . . . . 0.0 109.304 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -167.04 138.06 3.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.818 1.647 . . . . 0.0 110.48 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.15 126.04 26.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.19 -16.0 39.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -167.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -59.28 -13.66 8.64 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.14 -21.87 65.39 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.855 2.062 . . . . 0.0 113.628 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -170.99 -1.42 0.03 OUTLIER Glycine 0 N--CA 1.477 1.4 0 N-CA-C 118.244 2.058 . . . . 0.0 118.244 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.51 167.1 2.76 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -49.85 135.72 20.31 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.19 1.796 . . . . 0.0 112.277 169.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -70.04 168.39 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.986 3.124 . . . . 0.0 111.86 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -65.5 157.85 28.48 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.845 0.858 . . . . 0.0 112.314 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.0 m -48.43 138.84 9.71 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.607 2.363 . . . . 0.0 112.521 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -72.5 47.15 0.16 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.782 2.033 . . . . 0.0 114.403 -176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -140.04 131.21 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 127.119 2.168 . . . . 0.0 108.357 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -83.47 127.14 33.47 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.845 0.858 . . . . 0.0 110.624 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.31 154.06 17.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.872 1.269 . . . . 0.0 110.396 173.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.018 1.727 . . . . 0.0 112.069 -177.81 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.549 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 C5'--C4' 1.539 2.263 0 O4'-C1'-C2' 101.909 -3.208 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.427 0 C4'-C3'-C2' 100.127 -2.573 . 0.382 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.135 1 O4'-C1'-N19 113.541 5.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 O5'-C5'-C4' 112.978 1.984 . 0.249 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 1 C5'-C4'-C3' 109.195 -4.204 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 112.527 4.327 . 0.278 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 1 O4'-C1'-N19 114.497 6.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.878 1 O4'-C1'-N19 115.067 6.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 100.06 -2.64 . 0.269 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 111.903 3.703 . 0.575 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 O4'-C1'-N19 111.945 3.745 . 0.364 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 C5'-C4'-C3' 110.263 -3.491 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.67 122.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.051 2.54 . . . . 0.0 115.355 170.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.81 177.88 51.84 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.664 1.126 . . . . 0.0 115.008 171.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.87 167.56 26.95 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 124.188 3.258 . . . . 0.0 112.821 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -145.26 140.28 27.72 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.672 1.589 . . . . 0.0 110.787 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -91.98 148.87 21.87 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.542 0.737 . . . . 0.0 110.605 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.3 mt -125.01 141.4 52.15 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 128.24 2.616 . . . . 0.0 108.191 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -94.5 151.68 19.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.319 1.848 . . . . 0.0 109.206 168.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -134.21 128.36 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.712 1.205 . . . . 0.0 109.555 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 m -111.73 154.37 25.1 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.959 1.704 . . . . 0.0 111.835 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 29.2 m120 68.62 21.14 8.08 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.252 1.821 . . . . 0.0 113.835 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.63 143.76 27.43 Favored Pre-proline 0 N--CA 1.479 0.979 0 C-N-CA 125.72 1.608 . . . . 0.0 111.896 169.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.54 148.47 26.91 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.102 3.201 . . . . 0.0 114.888 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 2.8 m-30 -57.1 -25.65 59.13 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.986 1.314 . . . . 0.0 114.287 172.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -120.19 109.5 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.144 1.778 . . . . 0.0 109.289 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.31 167.81 27.98 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -169.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -156.69 169.81 23.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.863 1.665 . . . . 0.0 111.306 -177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -64.92 -44.24 71.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.82 -21.43 33.2 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.127 1.884 . . . . 0.0 113.156 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -74.26 -26.13 60.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.431 0.693 . . . . 0.0 112.073 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.02 -47.11 13.05 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.631 0.772 . . . . 0.0 110.833 172.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.8 m -50.9 -45.03 60.09 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.147 1.779 . . . . 0.0 112.072 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.4 mtp -65.07 -48.0 75.32 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.222 0.919 . . . . 0.0 111.215 172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -78.72 -28.29 45.04 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.135 0.974 . . . . 0.0 112.199 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -54.46 -22.91 14.08 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 170.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.39 -12.76 61.93 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.726 -1.234 . . . . 0.0 114.256 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.04 25.52 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.223 1.809 . . . . 0.0 112.294 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.47 171.56 14.17 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.033 1.301 . . . . 0.0 115.078 169.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.68 138.95 76.74 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.029 3.82 . . . . 0.0 114.313 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.57 129.25 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.743 1.617 . . . . 0.0 108.141 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.88 -26.02 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.536 1.534 . . . . 0.0 112.396 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.59 161.04 6.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.599 2.36 . . . . 0.0 109.045 -172.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.08 139.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 126.382 1.873 . . . . 0.0 109.223 -168.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -152.34 122.93 7.33 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.2 mm -119.2 135.82 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 125.621 1.568 . . . . 0.0 109.206 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 mm -97.19 146.39 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.354 0.662 . . . . 0.0 110.177 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -119.89 158.19 27.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.11 0.964 . . . . 0.0 112.581 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -136.56 172.2 13.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.918 1.687 . . . . 0.0 111.743 -167.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.01 -15.69 14.54 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -144.51 106.79 4.36 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.829 1.652 . . . . 0.0 109.523 170.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.55 -155.59 51.34 Favored Glycine 0 N--CA 1.473 1.159 0 C-N-CA 124.644 1.116 . . . . 0.0 114.383 177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -69.14 163.49 24.71 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 122.264 -0.55 . . . . 0.0 110.849 168.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -77.75 9.61 3.34 Favored 'General case' 0 CA--C 1.553 1.061 0 O-C-N 120.38 -1.45 . . . . 0.0 111.788 168.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.52 5.29 82.39 Favored Glycine 0 CA--C 1.541 1.718 0 C-N-CA 125.533 1.539 . . . . 0.0 115.475 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 168.57 24.79 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.089 1.945 . . . . 0.0 114.119 -175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.16 -169.56 31.78 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.694 1.14 . . . . 0.0 115.191 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -140.26 161.82 36.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.321 2.248 . . . . 0.0 109.795 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.14 144.96 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.015 1.326 . . . . 0.0 110.51 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 35.4 m -125.75 135.12 51.7 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.51 1.124 . . . . 0.0 111.324 -168.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.9 mmm -117.09 153.1 33.34 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 127.047 2.139 . . . . 0.0 110.822 -171.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.91 -10.67 60.08 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -154.2 158.44 32.41 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 127.252 2.221 . . . . 0.0 111.451 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.84 -32.83 17.5 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.291 2.661 . . . . 0.0 112.334 169.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.19 -41.97 69.61 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.496 1.044 . . . . 0.0 112.582 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -63.09 -20.36 65.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.294 1.038 . . . . 0.0 112.037 175.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -97.44 -22.36 16.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.134 1.773 . . . . 0.0 113.057 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -85.42 -33.15 22.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.682 0.793 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -68.03 -29.52 68.53 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.533 1.133 . . . . 0.0 111.778 169.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.66 21.07 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.338 0.655 . . . . 0.0 110.907 169.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -54.8 -41.14 70.22 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.482 1.113 . . . . 0.0 112.711 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.93 65.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -98.65 -60.33 1.56 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.624 1.169 . . . . 0.0 110.961 174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.27 -6.62 55.52 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -168.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -96.56 121.98 38.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.424 1.011 . . . . 0.0 111.965 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 77.56 49.12 7.47 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 123.515 0.578 . . . . 0.0 112.11 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.6 t -142.39 165.59 26.99 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.133 1.373 . . . . 0.0 111.696 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 129.07 23.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.851 2.061 . . . . 0.0 108.17 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.9 mt -141.23 131.63 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.12 1.368 . . . . 0.0 108.974 -170.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.88 19.2 6.81 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 93.09 5.05 64.29 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.439 1.495 . . . . 0.0 115.003 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -120.29 132.07 55.17 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.389 1.476 . . . . 0.0 111.756 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -62.05 153.58 29.31 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.315 1.046 . . . . 0.0 110.926 171.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.67 139.06 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.582 1.553 . . . . 0.0 109.026 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -141.11 144.37 34.83 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.792 1.637 . . . . 0.0 109.165 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 87.0 t -152.82 136.46 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.056 1.742 . . . . 0.0 110.025 -168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -161.62 162.38 29.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.945 0.898 . . . . 0.0 112.992 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.86 148.54 10.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.838 1.655 . . . . 0.0 112.765 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.81 175.57 11.13 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.828 1.251 . . . . 0.0 113.405 -169.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.7 t -141.67 137.22 31.61 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.36 1.464 . . . . 0.0 111.464 -172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -73.98 152.02 40.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.492 1.517 . . . . 0.0 112.104 -176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -73.11 24.88 0.06 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 21.7 m -152.3 161.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.703 2.401 . . . . 0.0 110.501 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -62.88 133.79 55.23 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.03 0.932 . . . . 0.0 113.017 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -72.49 -31.59 65.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.743 0.817 . . . . 0.0 112.674 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 62.03 -164.83 0.24 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.306 1.842 . . . . 0.0 112.363 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -66.2 169.03 7.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.867 1.267 . . . . 0.0 114.134 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -148.77 169.74 19.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.768 1.627 . . . . 0.0 111.882 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 51.6 tptt 54.68 61.81 8.89 Favored Pre-proline 0 CA--C 1.559 1.296 0 C-N-CA 126.173 1.789 . . . . 0.0 113.4 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.97 168.31 25.05 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.638 2.892 . . . . 0.0 111.493 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.0 tp -155.46 117.03 4.01 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.855 1.262 . . . . 0.0 110.011 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.5 mtp 65.55 -14.83 0.12 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.928 2.491 . . . . 0.0 115.717 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 82.9 p -165.11 169.99 15.52 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.722 2.009 . . . . 0.0 111.464 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.632 1.973 . . . . 0.0 112.56 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -71.22 -4.34 25.14 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -171.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 p -74.32 -14.46 60.89 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.777 1.631 . . . . 0.0 113.351 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -75.74 120.98 21.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.284 1.034 . . . . 0.0 111.131 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.81 144.44 35.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.315 1.046 . . . . 0.0 112.046 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.87 -25.65 0.46 Allowed Pre-proline 0 CA--C 1.553 1.089 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -81.46 63.46 8.57 Favored 'Trans proline' 0 C--N 1.358 1.042 0 CA-C-N 123.628 2.331 . . . . 0.0 111.353 -172.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.44 -8.03 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.27 1.428 . . . . 0.0 113.944 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -142.74 128.65 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.713 2.005 . . . . 0.0 108.395 172.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.64 19.49 4.22 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.147 1.356 . . . . 0.0 114.686 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -161.63 177.29 10.12 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.555 1.178 . . . . 0.0 113.239 -169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -151.35 146.39 25.97 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.614 1.966 . . . . 0.0 110.21 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -145.44 120.75 10.24 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.213 1.405 . . . . 0.0 109.992 169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 18.8 p -141.12 34.43 1.72 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.038 1.735 . . . . 0.0 112.04 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.4 ptm -65.38 -7.45 13.81 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -99.38 5.61 46.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.917 1.687 . . . . 0.0 114.142 -171.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.2 p -82.91 -7.3 59.68 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -84.48 121.63 27.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.419 1.488 . . . . 0.0 112.223 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 92.4 mt -139.3 126.34 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 125.865 1.666 . . . . 0.0 112.128 -166.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.3 151.44 42.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.044 1.738 . . . . 0.0 110.787 168.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -149.79 87.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.707 0.803 . . . . 0.0 112.295 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.0 53.31 4.8 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.778 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.93 -128.54 6.23 Favored Glycine 0 N--CA 1.477 1.386 0 CA-C-N 120.983 2.392 . . . . 0.0 111.721 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt 70.23 164.0 0.14 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 126.795 2.038 . . . . 0.0 112.857 168.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.33 5.83 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.914 2.409 . . . . 0.0 112.535 169.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.497 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 21.4 t80 83.78 -68.02 0.06 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 130.139 3.376 . . . . 0.0 109.49 -174.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -82.84 34.22 0.44 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.954 1.701 . . . . 0.0 114.722 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -76.89 -176.86 4.09 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.854 1.662 . . . . 0.0 111.909 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 66.9 p -93.87 -91.1 0.19 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.388 1.475 . . . . 0.0 112.29 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -164.59 -39.61 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.768 1.627 . . . . 0.0 113.626 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -64.16 -22.33 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 59.4 m -48.48 -63.1 1.18 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.306 2.242 . . . . 0.0 111.702 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.31 -45.72 76.27 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.808 1.243 . . . . 0.0 113.271 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -65.01 -33.78 76.87 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -74.11 -20.76 60.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.509 1.124 . . . . 0.0 112.757 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -85.86 -44.84 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.249 -0.907 . . . . 0.0 112.899 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -77.2 -9.0 58.5 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -73.81 -8.39 55.87 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.269 -0.894 . . . . 0.0 113.091 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.7 -15.81 63.63 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.24 -0.912 . . . . 0.0 112.283 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.62 -11.94 19.62 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.162 1.385 . . . . 0.0 113.962 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.24 -127.42 2.86 Favored Glycine 0 N--CA 1.466 0.693 0 C-N-CA 124.554 1.073 . . . . 0.0 112.817 -175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.26 130.55 56.94 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.61 1.564 . . . . 0.0 110.5 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -96.09 133.56 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -74.3 -59.21 2.83 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -159.23 138.83 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.698 1.599 . . . . 0.0 109.022 169.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.82 140.52 32.99 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.621 1.168 . . . . 0.0 110.744 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -151.17 146.74 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.81 1.244 . . . . 0.0 112.269 -170.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -95.99 135.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 168.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.23 124.07 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 122.742 0.417 . . . . 0.0 110.137 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 36.8 p -134.74 150.3 50.56 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.82 1.648 . . . . 0.0 110.914 -173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.6 132.42 40.64 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.709 1.203 . . . . 0.0 112.86 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 tpt85 -73.27 -13.12 61.07 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -112.34 -22.81 10.7 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.645 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 73.5 p -124.31 -12.06 7.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.013 1.325 . . . . 0.0 114.564 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 67.84 6.28 5.0 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.277 2.231 . . . . 0.0 113.706 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -73.11 146.18 45.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.629 1.172 . . . . 0.0 111.411 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.4 t -69.52 141.62 53.85 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.408 -0.808 . . . . 0.0 112.37 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -82.41 -8.55 59.62 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.559 1.544 . . . . 0.0 111.713 170.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.28 -13.97 36.57 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 126.396 1.95 . . . . 0.0 115.926 172.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -145.61 162.8 36.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.956 1.302 . . . . 0.0 112.796 -169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.92 -179.45 16.03 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.921 1.248 . . . . 0.0 114.964 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.16 140.15 32.32 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.806 2.442 . . . . 0.0 109.712 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.3 t -128.68 145.12 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.731 1.612 . . . . 0.0 109.147 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.3 m -133.92 122.65 23.43 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.4 mmm -96.55 158.62 15.35 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 111.869 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.35 -37.46 66.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -147.73 162.87 38.31 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -168.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -74.86 75.89 2.13 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.774 1.63 . . . . 0.0 108.042 165.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.32 -46.69 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 130.912 3.685 . . . . 0.0 110.273 -176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -86.69 -40.54 14.97 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.886 0.474 . . . . 0.0 111.391 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.2 73.65 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -63.81 -40.86 97.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.409 0.683 . . . . 0.0 111.599 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -74.6 -34.62 62.87 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.116 0.566 . . . . 0.0 112.016 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.04 -28.7 69.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.569 0.748 . . . . 0.0 112.74 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.5 m -90.72 6.69 43.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.476 1.91 . . . . 0.0 114.365 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.12 -56.75 17.27 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.276 0.944 . . . . 0.0 112.333 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -102.65 140.8 21.43 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.448 1.099 . . . . 0.0 111.812 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -86.29 -23.28 1.93 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.509 2.806 . . . . 0.0 113.497 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -147.8 57.87 3.58 Favored Pre-proline 0 CA--C 1.554 1.096 0 C-N-CA 125.561 1.544 . . . . 0.0 111.55 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.24 155.8 60.19 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.534 2.822 . . . . 0.0 111.165 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.73 132.04 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.5 108.88 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.4 t70 56.7 38.69 29.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.448 1.899 . . . . 0.0 113.966 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 7.17 55.56 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -145.32 144.18 30.59 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.087 1.444 . . . . 0.0 111.718 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.64 125.2 21.91 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.811 1.244 . . . . 0.0 112.826 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.32 -162.22 0.91 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.524 1.929 . . . . 0.0 112.152 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -161.26 120.0 2.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.555 1.542 . . . . 0.0 109.166 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -100.46 134.2 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.125 1.37 . . . . 0.0 108.92 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -162.29 148.19 12.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.848 1.259 . . . . 0.0 111.543 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.92 124.47 22.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.395 0.678 . . . . 0.0 109.658 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.02 92.78 5.63 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.138 0.575 . . . . 0.0 111.529 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -143.34 1.96 1.25 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 171.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 85.7 mt -86.01 42.71 1.0 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.573 1.949 . . . . 0.0 112.148 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.21 6.13 31.98 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.752 1.644 . . . . 0.0 114.435 -170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.32 147.13 8.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.89 2.076 . . . . 0.0 113.68 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -92.68 130.71 35.96 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.039 0.936 . . . . 0.0 112.452 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.37 161.57 43.96 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.72 2.947 . . . . 0.0 111.123 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -71.24 150.07 45.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.736 0.814 . . . . 0.0 111.424 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -51.29 129.45 24.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.595 1.958 . . . . 0.0 111.931 -174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -160.21 160.42 32.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.721 1.608 . . . . 0.0 111.662 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.5 p -154.93 27.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.521 1.528 . . . . 0.0 112.042 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.56 158.71 26.75 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.689 1.595 . . . . 0.0 111.279 -174.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 51.7 mt 68.22 -178.54 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.083 2.153 . . . . 0.0 113.117 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.635 1.974 . . . . 0.0 112.015 -176.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.438 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-C2' 102.927 -2.481 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 O5'-C5'-C4' 113.307 2.219 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 O4'-C1'-N19 113.591 5.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 C3'-C2'-C1' 104.425 3.25 . 0.21 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C3'-C2'-C1' 104.462 3.292 . 0.255 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.428 5.228 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.497 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 114.915 6.715 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.93 1 O4'-C1'-N19 115.351 7.151 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.664 -3.036 . 0.2 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C3'-C2'-C1' 104.872 3.747 . 0.646 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 1 O4'-C1'-N19 112.21 4.01 . 0.124 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER '7D dist 2o' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.445 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -166.56 171.32 11.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.016 1.727 . . . . 0.0 111.796 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.64 -134.91 14.72 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.038 -1.423 . . . . 0.0 112.876 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -68.34 152.82 75.3 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.724 2.95 . . . . 0.0 111.878 -173.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -153.69 8.71 0.38 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -80.75 158.18 25.58 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 166.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.19 140.2 52.41 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.172 1.789 . . . . 0.0 109.029 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -98.42 145.07 27.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.6 1.56 . . . . 0.0 108.387 166.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.23 137.45 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.389 1.475 . . . . 0.0 107.648 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 t -139.03 160.68 39.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.776 0.83 . . . . 0.0 112.769 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.7 t30 68.23 7.46 5.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.941 2.496 . . . . 0.0 113.747 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -40.31 141.25 0.87 Allowed Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.795 2.438 . . . . 0.0 111.853 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.39 151.13 86.04 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.832 2.354 . . . . 0.0 111.919 -176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.94 -38.71 17.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.715 1.606 . . . . 0.0 114.5 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -107.1 118.77 37.58 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.873 1.269 . . . . 0.0 110.304 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -159.17 161.7 36.24 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -141.53 167.91 21.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.737 1.615 . . . . 0.0 112.253 -172.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.1 -49.81 6.99 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 125.645 1.578 . . . . 0.0 113.941 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.65 -13.0 32.06 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.075 1.85 . . . . 0.0 113.25 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -82.3 -13.77 56.45 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.503 1.121 . . . . 0.0 112.227 172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.3 tp -96.48 -48.7 5.45 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.748 1.619 . . . . 0.0 110.854 169.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 94.9 m -51.63 -44.27 62.88 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.486 1.914 . . . . 0.0 112.248 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -16.83 62.02 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 31.1 mtm -77.95 -34.05 51.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.207 0.912 . . . . 0.0 112.242 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -84.27 -30.09 25.92 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.087 0.955 . . . . 0.0 111.726 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.68 -6.5 1.73 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -71.17 -22.45 62.04 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 113.224 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 31.6 m -136.04 -5.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -168.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.89 174.33 40.71 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.362 0.983 . . . . 0.0 114.641 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.78 136.11 20.45 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.859 3.039 . . . . 0.0 111.117 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -104.26 129.87 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.964 1.306 . . . . 0.0 108.678 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.2 t -95.32 -33.34 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.211 1.405 . . . . 0.0 111.606 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -166.69 164.97 16.74 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.246 1.818 . . . . 0.0 110.294 -172.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.4 p -165.81 143.43 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 109.179 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -155.39 109.37 2.86 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.544 0.738 . . . . 0.0 111.421 -170.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.97 146.12 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.307 1.043 . . . . 0.0 108.972 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.7 mm -109.21 130.28 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.373 0.669 . . . . 0.0 110.149 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -113.75 163.39 15.08 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -151.39 -169.05 3.27 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.7 1.6 . . . . 0.0 110.532 -171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.9 -19.38 51.2 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -148.86 118.04 6.82 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.562 1.545 . . . . 0.0 110.434 169.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.64 -158.62 43.5 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.112 1.339 . . . . 0.0 114.486 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.5 p -79.5 161.42 26.04 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 122.515 -0.403 . . . . 0.0 111.376 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.86 -13.52 45.64 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.858 -1.151 . . . . 0.0 113.316 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.93 16.86 43.06 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.94 1.257 . . . . 0.0 112.893 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -151.68 172.74 15.62 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.194 1.797 . . . . 0.0 111.956 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.93 -177.99 41.2 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.411 1.005 . . . . 0.0 114.098 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.57 158.59 41.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.158 1.783 . . . . 0.0 110.66 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.7 p -157.22 142.62 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.209 1.404 . . . . 0.0 110.624 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 5.4 m -122.08 136.54 54.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.977 1.311 . . . . 0.0 111.513 -168.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 92.3 mtp -129.04 153.2 47.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.309 1.444 . . . . 0.0 110.216 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -68.89 -15.36 63.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -143.54 150.14 49.87 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 126.478 1.911 . . . . 0.0 110.53 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -71.85 -20.76 25.61 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.662 2.241 . . . . 0.0 112.523 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.11 -26.99 42.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.127 1.371 . . . . 0.0 113.242 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.69 -16.65 57.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.658 0.783 . . . . 0.0 111.905 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.31 -33.68 16.01 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.658 1.583 . . . . 0.0 111.537 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -53.42 -28.29 29.15 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -67.94 -29.07 68.04 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.527 1.131 . . . . 0.0 112.64 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.68 -37.48 11.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.51 1.524 . . . . 0.0 111.895 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -49.4 -47.0 48.13 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.703 1.601 . . . . 0.0 111.94 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.03 -15.01 61.1 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -98.02 -28.72 13.65 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.671 1.189 . . . . 0.0 113.27 -176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -116.0 13.4 15.9 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.445 1.498 . . . . 0.0 113.39 -171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -119.77 125.11 47.81 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 110.874 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.2 35.48 48.63 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.37 0.509 . . . . 0.0 112.705 -175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.9 t -134.27 172.37 12.97 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.113 1.765 . . . . 0.0 111.273 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.3 m -142.65 135.86 28.51 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.748 2.019 . . . . 0.0 109.912 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.1 -72.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.162 0.985 . . . . 0.0 109.248 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.48 -40.1 0.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.992 1.317 . . . . 0.0 112.01 172.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -120.46 6.39 11.65 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.496 1.522 . . . . 0.0 115.062 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -148.18 130.67 15.78 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.3 1.84 . . . . 0.0 110.963 -175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -70.68 167.09 19.4 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.059 0.943 . . . . 0.0 111.511 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.37 144.12 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.77 1.628 . . . . 0.0 109.725 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -148.84 134.98 19.22 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.906 1.683 . . . . 0.0 109.294 -172.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.37 136.21 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.401 1.88 . . . . 0.0 110.113 -171.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -162.24 163.72 28.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.971 1.308 . . . . 0.0 112.035 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 37.5 mt -55.17 153.62 6.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.294 1.438 . . . . 0.0 113.115 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.04 169.99 17.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.929 1.292 . . . . 0.0 113.49 -172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.5 t -144.79 161.78 38.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.256 1.822 . . . . 0.0 111.224 -173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -76.74 169.75 17.72 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.115 1.366 . . . . 0.0 112.445 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -75.69 39.2 0.16 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.081 1.752 . . . . 0.0 112.894 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -152.33 155.28 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 127.586 2.354 . . . . 0.0 110.831 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -81.78 -7.98 59.65 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -66.0 141.04 58.31 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.052 1.341 . . . . 0.0 112.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -160.62 161.45 32.49 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.689 1.595 . . . . 0.0 112.428 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -70.92 152.21 43.88 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.024 0.93 . . . . 0.0 112.841 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -132.67 8.92 4.22 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.721 . . . . 0.0 112.59 170.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -146.83 160.05 41.8 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.681 2.392 . . . . 0.0 110.27 -175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -57.14 167.45 3.32 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.237 3.291 . . . . 0.0 114.643 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 60.1 tp -89.69 125.98 35.47 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.663 1.185 . . . . 0.0 109.989 172.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 97.5 mtp -85.69 138.26 32.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.49 1.116 . . . . 0.0 111.516 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 22.9 p -84.99 137.88 32.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.48 1.112 . . . . 0.0 111.971 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.392 1.877 . . . . 0.0 112.046 -176.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 -4.98 57.75 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -174.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.3 p -140.79 154.74 46.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.561 1.944 . . . . 0.0 111.056 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -142.82 11.91 1.84 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.932 1.293 . . . . 0.0 114.295 -173.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.84 28.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.264 1.826 . . . . 0.0 111.024 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -161.73 -40.94 0.0 OUTLIER Pre-proline 0 CA--C 1.551 0.991 0 CA-C-O 117.236 -1.364 . . . . 0.0 114.574 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -67.2 113.66 2.93 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.284 1.99 . . . . 0.0 112.637 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.7 m -78.8 61.86 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.166 1.386 . . . . 0.0 110.451 173.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.49 137.16 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 126.173 1.789 . . . . 0.0 109.923 -169.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 65.72 3.0 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.269 1.414 . . . . 0.0 112.599 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.1 t -78.8 -7.34 57.75 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.812 1.245 . . . . 0.0 113.637 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -156.32 -31.83 0.09 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.248 1.819 . . . . 0.0 112.395 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -150.43 133.57 16.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.023 1.729 . . . . 0.0 109.78 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 12.8 m -106.64 142.13 36.79 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.174 -169.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -78.83 167.85 20.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 113.14 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -136.05 178.02 7.38 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -84.83 56.61 3.98 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.339 1.856 . . . . 0.0 113.255 -170.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -109.49 128.3 55.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.734 2.414 . . . . 0.0 110.122 169.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -137.14 128.28 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 O-C-N 120.957 -1.089 . . . . 0.0 111.853 -166.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -70.18 160.87 31.32 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 t -146.4 99.33 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.276 1.03 . . . . 0.0 111.566 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.09 -151.12 0.8 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.292 0.949 . . . . 0.0 113.357 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.43 -146.32 24.72 Favored Glycine 0 N--CA 1.472 1.093 0 O-C-N 121.101 -1.235 . . . . 0.0 112.378 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt 73.1 153.07 0.15 Allowed Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 127.264 2.226 . . . . 0.0 114.342 169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -81.31 5.92 5.94 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.774 2.983 . . . . 0.0 111.561 169.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.481 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 3.5 t80 83.36 -34.53 0.08 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.388 3.075 . . . . 0.0 112.023 172.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -89.78 4.98 48.05 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.971 1.708 . . . . 0.0 115.309 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.1 t -79.33 -175.41 4.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.978 1.711 . . . . 0.0 112.658 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.2 m -139.3 166.22 25.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.167 1.787 . . . . 0.0 112.274 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.93 -17.19 61.51 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.72 -14.99 36.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.631 1.172 . . . . 0.0 113.527 169.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 -66.09 0.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.144 1.777 . . . . 0.0 108.88 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tt -44.63 -44.94 9.33 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -63.65 -20.22 65.52 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -84.53 -12.34 54.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.547 1.539 . . . . 0.0 112.494 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -90.59 -40.98 11.62 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.139 0.976 . . . . 0.0 112.484 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -81.22 -9.0 59.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -9.34 55.97 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.4 -13.38 62.11 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.824 1.25 . . . . 0.0 112.873 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -112.99 -7.17 13.72 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.51 -159.72 23.96 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.099 1.809 . . . . 0.0 112.265 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.32 143.33 37.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.477 1.111 . . . . 0.0 111.118 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.69 138.3 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.441 1.496 . . . . 0.0 107.918 -170.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.97 -61.39 1.95 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 170.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -160.0 144.19 14.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.224 1.41 . . . . 0.0 109.731 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.41 138.86 31.41 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.83 1.252 . . . . 0.0 111.009 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.96 159.2 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.614 1.166 . . . . 0.0 113.109 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.03 129.18 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.999 2.119 . . . . 0.0 106.397 169.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 50.0 mm -76.73 138.0 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.143 0.577 . . . . 0.0 110.887 -170.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -135.13 -113.0 0.2 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.684 1.194 . . . . 0.0 110.373 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -171.87 132.01 0.69 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.003 2.521 . . . . 0.0 109.069 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -2.07 55.99 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -171.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.71 -24.19 11.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.934 1.293 . . . . 0.0 113.144 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 80.3 p -136.68 -12.99 1.74 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.392 1.477 . . . . 0.0 114.819 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 65.47 16.62 10.61 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.49 1.916 . . . . 0.0 113.926 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.15 142.25 54.39 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.182 0.993 . . . . 0.0 111.782 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -75.96 161.58 28.81 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -169.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 ttm-85 -144.66 142.01 29.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.417 1.487 . . . . 0.0 110.504 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.02 -14.91 48.11 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 -168.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -132.25 157.48 44.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.472 1.636 . . . . 0.0 114.531 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.36 -175.32 13.98 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 126.554 2.026 . . . . 0.0 113.59 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -145.58 148.23 32.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.084 1.754 . . . . 0.0 111.618 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 143.08 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 110.501 -176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -123.93 132.25 53.7 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.09 1.756 . . . . 0.0 107.895 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 96.7 mmm -110.57 148.98 31.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.758 0.823 . . . . 0.0 112.764 -176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -67.84 -44.37 77.35 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.145 0.978 . . . . 0.0 113.014 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -122.15 157.5 31.39 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.121 1.369 . . . . 0.0 112.925 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -68.15 -43.56 77.97 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.566 1.146 . . . . 0.0 111.453 -171.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.85 -24.64 63.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.288 1.035 . . . . 0.0 113.085 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 68.0 m -72.43 -38.07 68.42 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.237 -0.289 . . . . 0.0 110.73 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.51 88.17 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.702 -0.624 . . . . 0.0 112.026 168.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.35 -43.04 83.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.302 0.955 . . . . 0.0 112.371 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -59.88 -40.81 89.97 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.956 0.902 . . . . 0.0 112.988 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.434 0.561 . . . . 0.0 112.358 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 77.1 m -89.07 4.37 48.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.066 1.347 . . . . 0.0 113.853 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.68 -53.74 54.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.364 1.066 . . . . 0.0 112.441 -170.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -91.02 138.98 25.74 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 123.623 0.769 . . . . 0.0 110.324 169.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -88.8 -15.01 2.75 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.505 2.137 . . . . 0.0 114.254 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -150.22 57.99 2.9 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 125.282 1.433 . . . . 0.0 112.155 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.52 158.45 51.01 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.272 2.648 . . . . 0.0 111.257 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.87 129.7 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.2 mt -135.17 114.33 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 36.0 t0 54.78 41.55 31.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.189 1.796 . . . . 0.0 113.389 -176.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.43 16.19 57.48 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 169.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -153.47 150.05 28.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.127 1.464 . . . . 0.0 111.456 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.19 128.36 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.753 1.221 . . . . 0.0 113.105 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.3 -159.68 0.73 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.153 1.781 . . . . 0.0 113.773 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -162.11 131.42 4.45 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 129.118 2.967 . . . . 0.0 106.171 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.88 49.11 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 122.686 1.232 . . . . 0.0 110.03 -168.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -81.47 162.57 23.22 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.007 1.323 . . . . 0.0 112.333 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.18 116.91 8.51 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.577 -0.702 . . . . 0.0 109.345 169.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.99 -15.0 61.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.134 1.774 . . . . 0.0 115.691 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -56.78 -17.5 9.38 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.65 -20.9 66.06 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.936 1.695 . . . . 0.0 113.189 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.65 -19.32 0.36 Allowed Glycine 0 CA--C 1.538 1.511 0 CA-C-O 117.871 -1.516 . . . . 0.0 116.643 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -29.82 137.04 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 128.389 2.676 . . . . 0.0 118.082 -169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -40.47 130.67 1.74 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.028 2.131 . . . . 0.0 113.92 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -56.06 159.96 11.31 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 124.171 3.247 . . . . 0.0 114.285 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -68.42 162.25 25.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.227 1.411 . . . . 0.0 113.031 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 35.4 p -87.76 -4.51 58.89 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.266 1.826 . . . . 0.0 114.957 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -156.12 163.49 39.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.827 1.251 . . . . 0.0 111.782 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.2 t -126.1 120.06 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.657 1.583 . . . . 0.0 108.822 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.29 12.58 3.85 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.126 1.371 . . . . 0.0 112.09 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.9 mt -110.6 4.77 20.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.627 1.571 . . . . 0.0 113.176 -173.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.698 1.999 . . . . 0.0 112.139 -175.641 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 0 C3'-C2'-C1' 98.528 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O5'-C5'-C4' 114.05 2.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 1 O4'-C1'-N19 112.961 4.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O5'-C5'-C4' 112.92 1.943 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 0 O4'-C1'-N19 111.665 3.465 . 0.193 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 113.03 4.83 OUTLIER-EPSILON 0.01 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.481 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.427 -2.175 3 O4'-C1'-N19 116.223 8.023 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.765 1 O4'-C1'-N19 114.812 6.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 O4'-C1'-N19 112.092 3.892 . 0.074 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 2 O4'-C1'-N19 114.365 6.165 . 0.307 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 O4'-C1'-N19 112.301 4.101 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -159.93 158.91 31.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.792 1.637 . . . . 0.0 111.262 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.48 39.7 3.16 Favored Glycine 0 CA--C 1.544 1.858 0 CA-C-O 116.908 -2.051 . . . . 0.0 116.888 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.96 -18.46 21.51 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 121.882 2.841 . . . . 0.0 112.574 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -65.08 142.51 58.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.847 1.659 . . . . 0.0 112.305 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -96.12 -175.34 3.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.61 1.964 . . . . 0.0 109.507 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 98.3 mt -132.23 133.72 44.49 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.213 1.405 . . . . 0.0 109.165 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -95.6 148.06 22.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.845 1.658 . . . . 0.0 109.495 169.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 t -130.63 119.94 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.027 1.331 . . . . 0.0 108.127 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 t -121.77 156.52 32.98 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.913 -171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 61.53 26.22 15.99 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.829 1.651 . . . . 0.0 112.46 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.63 146.95 42.8 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 125.17 1.388 . . . . 0.0 111.838 172.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.62 163.27 24.87 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.265 2.643 . . . . 0.0 114.238 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -82.92 150.76 26.27 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.098 0.959 . . . . 0.0 110.695 166.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 59.98 26.14 15.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.057 2.143 . . . . 0.0 113.157 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.5 162.87 19.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.385 1.474 . . . . 0.0 112.941 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -144.54 159.9 42.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.745 1.218 . . . . 0.0 112.277 -169.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.12 -42.71 52.48 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -67.18 -24.39 44.36 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.182 1.922 . . . . 0.0 112.979 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -77.38 -31.46 54.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.455 0.702 . . . . 0.0 112.076 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.0 tp -73.32 -41.22 63.77 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 118.222 0.465 . . . . 0.0 110.985 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 89.2 m -57.78 -50.01 74.68 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.63 1.172 . . . . 0.0 110.059 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.99 72.16 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.1 -43.05 96.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.996 0.919 . . . . 0.0 112.525 173.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -78.54 -28.38 46.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.681 0.673 . . . . 0.0 112.586 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.47 -16.99 11.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.28 1.032 . . . . 0.0 113.737 170.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -57.96 -25.68 61.3 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.842 -1.161 . . . . 0.0 113.848 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.3 m -130.76 -12.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -171.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.21 177.1 44.03 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 120.239 1.381 . . . . 0.0 115.503 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.62 133.6 20.74 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 123.997 3.131 . . . . 0.0 111.53 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.38 133.5 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.398 1.479 . . . . 0.0 108.692 -176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.33 -27.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.678 1.591 . . . . 0.0 112.541 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -176.15 163.19 2.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.89 2.476 . . . . 0.0 108.598 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.46 154.57 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 126.283 1.833 . . . . 0.0 108.502 -168.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -157.43 108.11 2.26 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.768 0.713 . . . . 0.0 111.825 -170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 34.7 mm -107.43 129.34 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.3 mm -89.59 152.64 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.152 0.981 . . . . 0.0 109.461 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -133.98 140.36 46.68 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.379 1.072 . . . . 0.0 110.012 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -159.64 129.04 5.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.78 0.832 . . . . 0.0 113.105 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . 0.284 10.8 pt-20 55.85 -13.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 130.975 3.71 . . . . 0.0 119.986 168.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -159.89 -43.64 0.05 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.161 1.346 . . . . 0.0 113.292 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.88 -149.74 5.48 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 124.381 0.991 . . . . 0.0 112.749 -176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -67.47 132.65 48.03 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.494 -0.416 . . . . 0.0 110.165 174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.439 ' HE3' ' CZ ' ' A' ' 141' ' ' PHE . 60.2 tttp -67.95 146.12 53.89 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 170.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.99 -9.87 6.14 Favored Glycine 0 CA--C 1.548 2.106 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -167.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.439 ' CZ ' ' HE3' ' A' ' 139' ' ' LYS . 29.0 p90 -136.29 167.69 20.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.989 1.894 . . . . 0.0 113.203 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.4 -173.23 21.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.273 1.415 . . . . 0.0 113.698 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -133.72 164.12 27.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.012 1.725 . . . . 0.0 110.394 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -157.55 150.33 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.512 1.125 . . . . 0.0 111.535 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 11.1 m -128.76 135.03 48.63 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.737 1.615 . . . . 0.0 109.457 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.7 mtp -130.57 161.05 32.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.797 1.239 . . . . 0.0 112.542 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -115.07 139.63 49.72 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 85.02 101.44 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 129.303 3.041 . . . . 0.0 109.788 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.11 -21.02 43.24 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.6 2.2 . . . . 0.0 112.86 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -69.24 -21.52 63.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.935 0.894 . . . . 0.0 113.226 173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -95.07 -29.92 14.34 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.33 1.052 . . . . 0.0 111.909 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.89 -29.07 70.0 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.406 0.682 . . . . 0.0 111.227 167.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.93 -36.78 62.15 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.464 1.105 . . . . 0.0 111.575 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.15 -37.97 89.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.421 0.689 . . . . 0.0 111.769 172.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.91 64.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.608 0.763 . . . . 0.0 111.59 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -53.48 -40.28 65.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.903 1.281 . . . . 0.0 112.23 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.29 -20.3 60.18 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.43 -58.82 1.91 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.119 0.872 . . . . 0.0 111.253 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.0 -7.99 55.93 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -94.01 127.91 40.06 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.065 0.848 . . . . 0.0 111.873 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 73.38 44.45 34.0 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.174 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -136.87 162.72 32.47 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.367 1.467 . . . . 0.0 111.103 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 63.2 m -136.85 128.59 28.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.524 1.93 . . . . 0.0 108.022 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.67 128.43 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.936 1.294 . . . . 0.0 108.723 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 49.74 26.48 1.88 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.715 2.006 . . . . 0.0 115.284 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 101.29 5.11 52.9 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.4 1.476 . . . . 0.0 115.545 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -127.34 133.42 50.09 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.112 1.456 . . . . 0.0 111.919 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.57 155.14 38.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.98 0.912 . . . . 0.0 110.433 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.9 t -138.46 140.36 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.353 1.461 . . . . 0.0 109.128 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -143.05 134.89 26.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.645 1.578 . . . . 0.0 108.956 -176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 55.9 t -146.45 130.41 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.151 1.38 . . . . 0.0 109.476 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -154.31 158.17 39.76 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.002 0.921 . . . . 0.0 112.322 -173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 50.9 mt -49.92 146.65 4.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.559 1.544 . . . . 0.0 112.732 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.4 153.12 41.6 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.549 1.14 . . . . 0.0 111.944 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.3 t -100.81 140.2 35.42 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.136 0.974 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.37 151.96 45.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.671 0.788 . . . . 0.0 109.332 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -77.6 61.17 2.29 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -169.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 18.1 m -143.57 151.2 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.337 2.255 . . . . 0.0 111.124 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -89.07 -1.44 58.1 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -154.49 153.99 32.41 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.324 1.449 . . . . 0.0 111.909 -172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -141.69 12.91 2.1 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.694 1.597 . . . . 0.0 113.288 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -149.91 148.33 28.99 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.166 1.386 . . . . 0.0 113.332 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.38 172.75 10.66 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.359 1.864 . . . . 0.0 111.367 -175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -135.78 145.78 54.35 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 125.528 1.531 . . . . 0.0 111.348 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.29 147.24 47.06 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.441 2.761 . . . . 0.0 111.2 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.6 mt -116.11 3.37 13.53 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.03 1.332 . . . . 0.0 112.991 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 15.0 tpt -162.57 148.24 12.51 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.701 2.0 . . . . 0.0 110.38 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 48.2 m -69.49 130.77 43.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.306 1.043 . . . . 0.0 111.951 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 126.58 1.952 . . . . 0.0 112.822 -176.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.7 m 65.38 23.67 12.02 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.258 1.423 . . . . 0.0 113.153 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 34.6 p -143.85 162.2 36.7 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.602 2.361 . . . . 0.0 110.916 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -150.59 28.57 0.71 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.606 1.562 . . . . 0.0 112.235 -175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.67 36.1 22.44 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 113.182 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.21 137.97 91.55 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.195 1.398 . . . . 0.0 112.119 -175.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.22 134.72 21.52 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.32 2.68 . . . . 0.0 111.184 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -164.21 134.92 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.781 1.632 . . . . 0.0 109.754 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -165.63 149.56 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.467 1.507 . . . . 0.0 110.328 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.32 -176.3 44.31 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.443 1.02 . . . . 0.0 113.648 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 90.1 p -161.96 172.17 16.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.168 1.387 . . . . 0.0 112.042 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -155.51 147.07 22.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.151 1.38 . . . . 0.0 111.324 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -145.56 129.44 17.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.712 2.005 . . . . 0.0 109.474 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 21.3 p -147.63 140.19 24.65 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.431 1.493 . . . . 0.0 111.038 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.7 tpt -161.6 153.21 18.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.861 2.064 . . . . 0.0 109.061 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -68.36 129.3 39.5 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.998 0.919 . . . . 0.0 112.267 -177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -135.44 3.28 3.05 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.825 1.65 . . . . 0.0 112.994 177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.81 128.0 35.63 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.474 1.91 . . . . 0.0 110.283 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -141.05 122.72 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.369 1.068 . . . . 0.0 111.23 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -70.26 149.49 47.38 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.209 1.804 . . . . 0.0 111.226 169.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -147.84 82.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.596 0.758 . . . . 0.0 112.496 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.81 60.18 3.4 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.22 -153.2 11.94 Favored Glycine 0 N--CA 1.475 1.253 0 C-N-CA 125.961 1.743 . . . . 0.0 112.714 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.8 mt 77.06 139.03 0.06 OUTLIER Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.915 2.486 . . . . 0.0 114.688 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -57.24 -7.95 3.17 Favored 'Trans proline' 0 C--N 1.355 0.904 1 C-N-CA 125.367 4.045 . . . . 0.0 117.868 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.0 t80 88.49 -34.13 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.909 2.484 . . . . 0.0 112.935 169.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -73.9 -1.46 19.72 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 120.774 -1.204 . . . . 0.0 113.77 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.6 p -69.71 166.35 19.38 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 128.394 2.678 . . . . 0.0 112.573 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 58.6 p -102.9 -92.13 0.34 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.025 1.33 . . . . 0.0 111.4 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -152.6 -30.11 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -69.16 -24.67 64.1 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.034 -1.041 . . . . 0.0 113.79 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -53.8 -56.79 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.671 1.989 . . . . 0.0 112.057 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.76 -49.08 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.401 1.481 . . . . 0.0 113.872 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -66.45 -26.02 67.01 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.17 -15.01 60.6 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.274 1.03 . . . . 0.0 113.243 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -95.28 -47.61 6.25 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.661 1.119 . . . . 0.0 113.949 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -75.22 -8.98 58.09 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -170.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.87 -7.48 45.92 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.877 0.871 . . . . 0.0 113.271 170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -71.49 -16.88 62.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.119 -0.988 . . . . 0.0 112.341 169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -98.39 -13.79 20.46 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.108 1.363 . . . . 0.0 113.541 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.57 -119.27 0.95 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.641 1.115 . . . . 0.0 112.354 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.46 129.93 43.61 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.539 1.536 . . . . 0.0 110.631 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.0 mt -94.06 127.24 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.393 1.077 . . . . 0.0 108.487 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.79 -54.7 19.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.687 0.795 . . . . 0.0 109.9 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -163.16 144.79 9.81 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.276 1.831 . . . . 0.0 108.296 170.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.75 143.84 32.39 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.3 1.04 . . . . 0.0 110.646 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.25 145.0 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.688 1.195 . . . . 0.0 111.428 -173.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.72 134.45 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.409 1.484 . . . . 0.0 108.669 172.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.8 mm -75.23 117.61 19.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -128.84 149.17 50.86 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.428 1.491 . . . . 0.0 111.983 -169.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.88 128.01 35.08 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.464 1.106 . . . . 0.0 111.127 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -69.54 -16.77 63.5 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -171.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -103.17 -22.3 13.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.836 1.254 . . . . 0.0 113.709 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 63.6 p -124.8 -14.97 6.61 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.419 1.488 . . . . 0.0 114.287 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 69.28 15.04 8.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.139 2.176 . . . . 0.0 113.147 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -85.53 141.52 29.82 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.493 1.117 . . . . 0.0 111.594 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -61.9 141.58 57.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.64 1.176 . . . . 0.0 113.629 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -85.83 8.04 21.59 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.996 1.718 . . . . 0.0 111.327 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.08 33.15 41.68 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 125.723 1.63 . . . . 0.0 113.71 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 34.0 p90 -168.1 147.36 4.65 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.814 1.246 . . . . 0.0 113.127 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.95 -178.28 15.36 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.36 1.457 . . . . 0.0 113.857 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -138.03 129.78 28.28 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.577 2.351 . . . . 0.0 108.551 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.5 t -118.17 147.08 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.666 1.587 . . . . 0.0 108.939 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -133.5 121.67 22.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.14 1.376 . . . . 0.0 107.802 170.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.2 mmm -91.81 151.33 20.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.563 0.745 . . . . 0.0 112.207 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -61.89 -35.77 79.31 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -144.99 157.79 44.02 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.735 1.214 . . . . 0.0 113.08 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -50.49 -32.93 19.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 113.636 -1.62 . . . . 0.0 112.988 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.9 74.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.654 1.115 . . . . 0.0 112.659 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -78.04 -34.69 50.37 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.979 -0.451 . . . . 0.0 111.157 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.81 -34.46 75.56 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.428 -0.795 . . . . 0.0 112.991 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -60.41 -32.61 71.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.895 0.878 . . . . 0.0 112.59 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.89 -39.21 26.71 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.706 1.202 . . . . 0.0 111.869 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.56 79.72 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.534 0.734 . . . . 0.0 111.825 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 71.7 m -88.64 17.63 5.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.231 1.812 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.19 -45.82 86.67 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.248 -0.907 . . . . 0.0 112.161 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.92 151.57 77.68 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 125.722 1.609 . . . . 0.0 112.267 175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.77 -9.01 9.11 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.212 2.608 . . . . 0.0 114.464 -171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -150.59 65.09 6.89 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 120.161 1.346 . . . . 0.0 112.701 -169.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.92 156.06 52.72 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.658 2.905 . . . . 0.0 111.468 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 26.1 mm -82.58 128.51 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 169.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 31.4 mt -136.65 119.85 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.741 1.216 . . . . 0.0 108.148 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 17.7 t70 58.6 24.64 12.25 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.069 1.748 . . . . 0.0 113.734 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.03 12.34 49.88 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.2 1.381 . . . . 0.0 115.417 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -142.18 145.84 34.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.968 1.307 . . . . 0.0 111.484 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -67.94 123.48 20.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.047 0.939 . . . . 0.0 112.399 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.27 -171.37 3.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.154 1.782 . . . . 0.0 112.346 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -150.45 122.18 8.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.068 1.347 . . . . 0.0 109.623 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 64.8 t -108.7 137.23 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.725 1.61 . . . . 0.0 110.974 -168.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -158.93 143.34 15.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.703 1.601 . . . . 0.0 110.459 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.21 112.64 5.25 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.499 -0.751 . . . . 0.0 109.004 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.29 -20.31 64.76 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -56.05 -17.99 8.42 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 70.4 mt -59.29 -21.2 59.32 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.55 1.94 . . . . 0.0 113.463 172.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.53 -13.87 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 N-CA-C 117.113 1.605 . . . . 0.0 117.113 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -40.43 145.87 0.16 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.798 2.439 . . . . 0.0 117.203 -169.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.15 142.37 66.74 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.586 1.954 . . . . 0.0 113.25 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -51.06 150.43 13.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.44 3.426 . . . . 0.0 113.71 172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 73.8 -27.13 0.19 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.195 2.598 . . . . 0.0 114.412 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 17.6 p -99.11 -21.91 15.94 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.052 1.341 . . . . 0.0 113.129 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.7 p30 -74.75 167.98 20.76 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.581 1.152 . . . . 0.0 113.75 173.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -162.4 133.91 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.709 1.604 . . . . 0.0 110.285 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -168.75 142.45 3.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.634 1.974 . . . . 0.0 108.801 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.2 pp -157.39 172.09 19.22 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.234 1.413 . . . . 0.0 111.971 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.387 1.875 . . . . 0.0 111.988 -177.447 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 2 C3'-C2'-C1' 97.413 -4.541 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.655 0 C5'-C4'-O4' 113.497 3.069 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.405 5.205 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C3'-C2'-C1' 103.494 2.215 . 0.334 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.075 3.875 . 0.306 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.297 -4.802 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 2 O4'-C1'-N19 113.474 5.274 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.545 4.345 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-O4' 113.132 2.808 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C3'-C2'-C1' 104.894 3.771 . 0.227 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.098 2.887 . 0.213 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O4'-C1'-N19 110.371 2.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -162.57 166.48 24.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.155 1.782 . . . . 0.0 110.918 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.93 -173.86 29.04 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 125.118 1.342 . . . . 0.0 113.914 175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 127.75 10.49 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.73 2.953 . . . . 0.0 111.79 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -125.84 8.03 7.46 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.455 1.502 . . . . 0.0 112.782 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -136.4 144.39 44.5 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.248 1.419 . . . . 0.0 110.684 -174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.98 153.8 25.03 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.837 2.055 . . . . 0.0 110.675 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -111.38 139.27 46.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.919 2.088 . . . . 0.0 108.464 169.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.68 123.51 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.784 1.234 . . . . 0.0 108.657 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -133.88 159.89 39.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.618 1.167 . . . . 0.0 113.135 -169.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 t30 59.98 28.53 18.07 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.366 1.866 . . . . 0.0 112.334 -170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.75 147.54 78.16 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 126.982 2.113 . . . . 0.0 109.871 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.66 154.24 59.57 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 122.41 2.073 . . . . 0.0 111.242 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.478 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 6.6 m-30 -59.08 148.87 29.51 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.463 -0.773 . . . . 0.0 112.481 171.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 71.49 3.13 4.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.892 2.477 . . . . 0.0 114.496 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -68.54 136.76 53.62 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.966 -1.084 . . . . 0.0 112.634 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -97.51 160.93 14.03 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.78 1.232 . . . . 0.0 112.963 -168.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.12 -42.15 58.62 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-O 117.364 -1.303 . . . . 0.0 113.937 173.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.08 -45.67 15.31 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.82 2.346 . . . . 0.0 112.569 171.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -62.19 -30.88 71.38 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.203 0.911 . . . . 0.0 113.22 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 tp -72.46 -45.18 60.75 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.324 0.65 . . . . 0.0 111.185 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 98.0 m -55.77 -44.81 78.05 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.929 1.292 . . . . 0.0 110.966 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.23 -1.21 9.62 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.81 -54.67 5.17 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 167.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -74.43 -36.7 63.43 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.625 1.17 . . . . 0.0 112.722 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -46.62 -41.4 14.57 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.717 1.207 . . . . 0.0 113.129 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.24 -16.98 3.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.94 9.0 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.822 1.249 . . . . 0.0 113.875 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.13 154.61 6.88 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.636 1.112 . . . . 0.0 113.33 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.04 132.17 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.949 2.433 . . . . 0.0 112.444 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.6 t -83.52 135.87 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.285 1.834 . . . . 0.0 109.831 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.2 t -90.03 -40.47 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.898 1.279 . . . . 0.0 111.28 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -165.89 169.23 15.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.209 1.804 . . . . 0.0 109.73 -175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.6 p -160.07 148.96 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.31 1.844 . . . . 0.0 109.124 -170.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -156.39 128.6 7.5 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 22.7 mm -101.1 152.94 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.036 1.734 . . . . 0.0 107.974 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mm -106.15 124.61 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.066 -1.022 . . . . 0.0 109.105 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -101.77 130.2 48.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.938 1.295 . . . . 0.0 111.326 175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -159.35 126.31 4.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.594 0.758 . . . . 0.0 112.75 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 69.61 -57.87 0.53 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.426 2.69 . . . . 0.0 113.762 174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -158.6 116.17 2.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.271 2.228 . . . . 0.0 108.793 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.98 -157.43 53.56 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.843 0.735 . . . . 0.0 113.479 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -84.36 147.97 26.88 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 122.079 -0.66 . . . . 0.0 111.922 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -72.3 -0.76 13.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.879 1.672 . . . . 0.0 113.754 -176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 89.18 9.9 66.81 Favored Glycine 0 CA--C 1.542 1.758 0 C-N-CA 124.733 1.159 . . . . 0.0 114.807 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -156.42 167.97 28.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 112.752 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -163.91 -171.35 30.04 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.562 1.077 . . . . 0.0 115.129 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -132.77 161.84 33.04 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.574 1.949 . . . . 0.0 110.418 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.72 133.92 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.879 0.872 . . . . 0.0 111.764 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 16.5 m -105.32 136.08 45.51 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.047 1.739 . . . . 0.0 109.291 -171.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.9 mmm -127.6 147.94 50.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.001 1.32 . . . . 0.0 113.685 -167.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -80.73 112.74 18.38 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 78.88 143.98 0.09 OUTLIER Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 128.323 2.649 . . . . 0.0 113.25 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -73.84 -21.71 18.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.903 2.402 . . . . 0.0 112.743 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.95 -36.73 56.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.267 0.94 . . . . 0.0 112.681 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.87 -36.13 75.23 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.499 0.72 . . . . 0.0 111.299 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.441 1.096 . . . . 0.0 112.133 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.89 -31.68 45.49 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.601 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -65.29 -32.66 74.43 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.899 0.772 . . . . 0.0 112.661 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.43 -51.22 46.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.413 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 60.1 ttt-85 -53.21 -38.61 63.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.69 1.196 . . . . 0.0 112.689 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.99 -18.28 63.09 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -98.15 -47.16 5.59 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.857 1.263 . . . . 0.0 111.518 172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -88.09 -12.87 42.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -169.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.99 113.84 24.02 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.982 0.81 . . . . 0.0 110.136 169.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.09 2.44 55.91 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.786 1.184 . . . . 0.0 115.764 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.6 t -84.48 147.44 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.872 1.336 . . . . 0.0 110.469 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.6 m -125.45 123.41 39.18 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.355 1.062 . . . . 0.0 111.403 -169.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.6 mt -93.39 -110.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.575 1.15 . . . . 0.0 109.746 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -84.31 54.08 2.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.13 1.372 . . . . 0.0 110.878 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.19 -7.43 56.47 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.398 1.475 . . . . 0.0 113.96 -171.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -94.17 114.25 26.34 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.391 1.476 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -77.57 108.81 11.01 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 110.1 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.55 138.46 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.463 1.505 . . . . 0.0 109.081 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -134.67 141.35 46.53 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.226 1.01 . . . . 0.0 110.989 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.8 t -142.72 126.14 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.495 1.518 . . . . 0.0 110.437 -169.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -142.67 175.72 9.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.196 1.398 . . . . 0.0 111.454 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.06 148.11 50.53 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.966 0.906 . . . . 0.0 111.238 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.87 175.07 6.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.252 1.021 . . . . 0.0 113.641 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.8 t -155.21 173.13 17.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.895 1.678 . . . . 0.0 111.51 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -62.96 156.96 23.0 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.777 1.631 . . . . 0.0 113.009 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -74.86 100.65 4.14 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.02 0.928 . . . . 0.0 109.668 -173.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 10.1 m -67.84 -11.6 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 115.732 1.752 . . . . 0.0 115.732 -166.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -90.88 -0.81 57.83 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.317 1.447 . . . . 0.0 113.16 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -149.82 -25.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.73 1.212 . . . . 0.0 114.155 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -138.89 115.69 10.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 111.634 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -147.16 171.18 15.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.193 2.197 . . . . 0.0 110.351 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -147.14 136.14 22.34 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.506 1.122 . . . . 0.0 111.794 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -76.34 -42.66 3.3 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.53 167.01 24.99 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.496 2.13 . . . . 0.0 111.976 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.82 174.78 14.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.029 1.731 . . . . 0.0 111.87 -174.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.0 ttp 71.58 29.87 2.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.358 1.863 . . . . 0.0 112.708 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 65.1 p -156.77 149.46 23.59 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.297 1.439 . . . . 0.0 112.041 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.57 1.948 . . . . 0.0 110.253 -178.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.7 p -83.73 -11.23 57.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.3 t -163.01 163.89 25.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.61 1.964 . . . . 0.0 110.579 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -162.09 143.81 10.99 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.054 1.741 . . . . 0.0 111.345 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.66 13.15 3.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.861 1.664 . . . . 0.0 113.509 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 56.43 60.68 7.82 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 126.279 1.832 . . . . 0.0 112.482 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.54 137.42 33.17 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.406 2.737 . . . . 0.0 111.536 -175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.8 p -82.49 11.81 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.961 1.305 . . . . 0.0 113.246 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -142.13 134.88 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.862 2.065 . . . . 0.0 108.941 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -156.43 -152.01 6.13 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.103 1.335 . . . . 0.0 113.103 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -155.49 166.93 32.01 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.136 1.374 . . . . 0.0 112.006 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -147.48 158.65 44.07 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.032 1.733 . . . . 0.0 111.455 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -161.45 172.61 16.17 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.942 2.097 . . . . 0.0 111.162 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 39.4 p -101.83 -7.59 22.38 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.971 1.308 . . . . 0.0 114.344 -172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -61.7 -16.08 45.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -172.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.3 -17.02 57.53 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.7 p -127.88 3.67 5.99 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -83.52 135.19 34.74 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.965 1.306 . . . . 0.0 110.989 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -141.36 115.86 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.094 -1.004 . . . . 0.0 112.471 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.43 103.83 8.62 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.677 1.191 . . . . 0.0 110.598 169.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.26 71.15 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 111.334 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.61 146.66 46.61 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.917 1.246 . . . . 0.0 115.707 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.06 -68.25 1.1 Allowed Glycine 0 CA--C 1.547 2.084 0 N-CA-C 119.754 2.662 . . . . 0.0 119.754 169.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.9 mt 56.43 -172.6 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.417 0 C-N-CA 126.26 1.824 . . . . 0.0 111.444 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -62.92 -17.58 60.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.133 . . . . 0.0 112.95 166.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.556 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 7.2 t80 83.47 -39.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.447 3.099 . . . . 0.0 112.093 168.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.97 34.48 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.54 0.736 . . . . 0.0 112.916 168.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -40.83 132.41 2.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 131.004 3.722 . . . . 0.0 111.574 169.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -92.0 163.37 14.01 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.399 0.679 . . . . 0.0 111.845 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.29 -28.56 68.19 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.942 -1.099 . . . . 0.0 113.709 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -83.45 -22.55 32.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 36.5 m -59.47 -58.26 9.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.584 1.554 . . . . 0.0 110.002 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.27 -50.41 29.91 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.062 1.345 . . . . 0.0 114.074 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -61.41 -40.65 95.18 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.15 -30.4 69.51 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.287 1.035 . . . . 0.0 112.548 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -75.52 -45.97 34.96 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.143 -0.973 . . . . 0.0 112.764 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -73.81 -10.49 59.72 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -61.51 -20.47 63.25 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.333 1.453 . . . . 0.0 112.643 170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.1 -15.43 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.263 1.025 . . . . 0.0 113.139 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -101.42 -13.77 17.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.607 1.163 . . . . 0.0 114.037 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.15 -133.01 4.57 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.598 1.094 . . . . 0.0 113.012 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -111.55 136.92 50.07 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.139 1.376 . . . . 0.0 110.519 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -105.34 132.16 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.801 1.24 . . . . 0.0 108.416 -169.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -59.78 2.77 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.824 0.85 . . . . 0.0 108.711 171.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -159.7 142.58 13.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.301 1.84 . . . . 0.0 108.763 170.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.58 135.81 40.6 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.903 1.281 . . . . 0.0 109.827 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.92 146.05 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.12 . . . . 0.0 111.84 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.17 130.39 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.61 137.03 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.433 0.693 . . . . 0.0 109.685 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -129.63 150.76 50.81 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.094 1.357 . . . . 0.0 111.75 -169.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.58 133.09 43.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.502 1.521 . . . . 0.0 111.876 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -7.98 56.96 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -174.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.87 -32.28 8.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.599 1.159 . . . . 0.0 113.062 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.2 p -109.14 -18.73 13.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 70.45 6.2 5.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.452 2.301 . . . . 0.0 113.111 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -83.27 152.0 25.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.522 1.129 . . . . 0.0 111.935 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.5 m -55.5 135.2 50.85 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.281 1.032 . . . . 0.0 112.034 175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -147.81 113.15 5.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.121 1.368 . . . . 0.0 110.703 -171.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.78 -78.58 1.43 Allowed Glycine 0 CA--C 1.527 0.815 0 C-N-CA 125.532 1.539 . . . . 0.0 113.911 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.22 174.32 13.79 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.07 166.02 12.11 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.455 1.502 . . . . 0.0 114.093 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -139.62 135.3 33.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 127.128 2.171 . . . . 0.0 110.077 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 77.6 t -130.62 144.88 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.483 1.113 . . . . 0.0 109.953 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 52.3 m -133.13 126.83 32.59 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.548 1.539 . . . . 0.0 107.872 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.0 mmm -97.13 152.62 18.61 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.888 . . . . 0.0 112.24 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -62.88 -39.98 96.14 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -146.34 161.69 39.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.85 1.66 . . . . 0.0 111.689 -176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.23 -42.72 63.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.58 1.152 . . . . 0.0 113.899 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.46 73.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.671 1.123 . . . . 0.0 112.697 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -71.69 -30.83 66.12 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.124 -0.36 . . . . 0.0 111.964 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.45 -32.13 42.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.695 0.798 . . . . 0.0 113.152 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.37 -39.68 93.97 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.821 1.191 . . . . 0.0 112.393 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -69.28 -31.24 69.62 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.34 -30.21 57.55 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.534 1.134 . . . . 0.0 112.568 174.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.86 27.02 3.28 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.969 2.108 . . . . 0.0 113.628 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.54 -48.05 83.17 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.225 1.01 . . . . 0.0 112.26 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.11 155.67 74.28 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.337 1.855 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -85.57 -0.85 8.91 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.665 2.91 . . . . 0.0 114.634 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -155.24 80.05 4.37 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.754 1.222 . . . . 0.0 110.82 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -97.1 142.05 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.988 2.459 . . . . 0.0 113.546 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.7 124.61 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 164.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -130.72 118.51 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t70 52.38 28.59 5.93 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.456 1.503 . . . . 0.0 114.505 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.59 7.58 39.22 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.325 1.441 . . . . 0.0 116.539 172.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -144.97 144.93 31.31 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.542 1.671 . . . . 0.0 112.466 169.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -72.74 120.31 18.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.119 0.968 . . . . 0.0 112.455 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 -152.81 0.33 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.895 1.678 . . . . 0.0 111.493 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -132.88 152.42 51.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.206 1.802 . . . . 0.0 108.964 173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 24.4 t -142.67 128.77 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.825 1.65 . . . . 0.0 107.577 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -171.32 165.88 7.11 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.678 2.391 . . . . 0.0 109.321 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 60.3 mt -73.84 7.83 2.33 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -170.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 73.42 -33.09 0.25 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 129.497 3.119 . . . . 0.0 115.178 169.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -65.61 -4.44 6.16 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.1 -26.81 65.0 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.441 166.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -126.13 -98.63 1.11 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 127.494 2.474 . . . . 0.0 110.085 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 65.36 160.86 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.442 3.497 . . . . 0.0 114.693 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -46.88 138.94 6.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.049 0.94 . . . . 0.0 111.421 167.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -64.59 157.53 54.89 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 124.434 3.422 . . . . 0.0 112.885 -172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -129.63 -178.29 4.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.182 1.793 . . . . 0.0 112.578 -173.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 39.7 p -61.46 149.95 37.1 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.418 1.487 . . . . 0.0 111.262 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -121.51 150.3 41.81 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.027 1.331 . . . . 0.0 111.754 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.13 103.59 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.454 1.101 . . . . 0.0 109.081 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -138.05 10.23 2.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.368 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.73 149.87 39.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.605 1.962 . . . . 0.0 110.213 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.199 1.8 . . . . 0.0 112.116 -177.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.478 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.435 3 C3'-C2'-C1' 97.491 -4.455 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.951 0 O5'-C5'-C4' 114.288 2.92 . 0.315 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 O4'-C1'-N19 112.5 4.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O5'-C5'-C4' 113.513 2.367 . 0.081 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 1 O4'-C1'-N19 112.653 4.453 . 0.298 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 113.144 4.944 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.556 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.429 -2.04 2 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.236 2 O4'-C1'-N19 114.923 6.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 112.086 3.886 . 0.104 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 2 O4'-C1'-N19 113.571 5.371 . 0.316 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C5'-C4'-C3' 109.874 -3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 0 O5'-C5'-C4' 113.879 2.628 . 0.047 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -160.26 141.28 12.15 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.757 1.623 . . . . 0.0 111.192 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.71 179.13 40.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.515 1.055 . . . . 0.0 114.301 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.29 121.52 8.83 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.554 2.836 . . . . 0.0 110.513 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.4 mmt-85 -78.44 115.8 18.4 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.523 0.729 . . . . 0.0 111.408 -172.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -135.52 153.06 51.84 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.233 1.813 . . . . 0.0 110.553 -171.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.53 163.04 33.9 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 127.426 2.29 . . . . 0.0 109.062 -170.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -134.17 146.55 50.29 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 128.049 2.54 . . . . 0.0 110.13 -173.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.6 t -138.91 134.29 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.479 1.512 . . . . 0.0 109.073 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -132.87 167.59 19.94 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.297 1.039 . . . . 0.0 113.656 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 24.8 t30 69.76 3.8 4.44 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.769 2.427 . . . . 0.0 114.444 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.72 143.34 2.22 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 128.77 2.828 . . . . 0.0 113.371 176.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -54.37 144.69 60.04 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.849 3.033 . . . . 0.0 113.134 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.451 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 5.7 m-30 -58.56 -27.17 64.34 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.81 5.38 49.17 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.117 1.367 . . . . 0.0 114.173 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.55 163.57 27.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.236 1.415 . . . . 0.0 112.453 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -131.51 173.5 11.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.958 1.303 . . . . 0.0 111.645 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -66.49 -48.05 56.57 Favored Pre-proline 0 CA--C 1.549 0.91 0 CA-C-O 117.593 -1.194 . . . . 0.0 113.05 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.96 -12.98 31.36 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.544 2.163 . . . . 0.0 114.448 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -78.58 -32.99 47.96 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.496 0.589 . . . . 0.0 111.307 170.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -77.11 -47.33 20.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 0.0 110.849 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 91.4 m -53.9 -45.16 71.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.567 1.547 . . . . 0.0 111.5 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.87 -12.34 53.68 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.6 mtm -76.76 -47.04 22.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.996 1.271 . . . . 0.0 111.271 169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -74.36 -25.93 59.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.646 0.778 . . . . 0.0 112.615 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.92 -3.88 0.87 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 171.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.1 -18.32 58.04 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.36 -1.462 . . . . 0.0 113.659 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.33 -16.07 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -168.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.9 170.45 43.38 Favored Glycine 0 CA--C 1.535 1.285 0 CA-C-N 119.84 1.2 . . . . 0.0 114.7 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.78 133.2 30.81 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.422 2.748 . . . . 0.0 111.351 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 18.8 t -101.18 128.48 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.558 1.143 . . . . 0.0 108.657 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.9 t -97.4 -38.67 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.023 1.729 . . . . 0.0 110.876 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -155.67 167.15 31.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.86 1.264 . . . . 0.0 111.788 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.1 p -164.0 137.79 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 126.583 1.953 . . . . 0.0 108.91 -170.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -152.37 104.61 2.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 112.449 -169.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -85.39 137.54 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.072 0.949 . . . . 0.0 108.882 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 27.9 mm -90.0 135.77 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.866 -0.521 . . . . 0.0 110.717 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -119.77 136.98 54.23 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.214 1.006 . . . . 0.0 112.117 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -155.84 122.52 5.25 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.611 1.164 . . . . 0.0 111.436 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 57.83 -108.56 0.43 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.706 1.603 . . . . 0.0 110.668 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -81.85 115.25 20.96 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.208 1.003 . . . . 0.0 110.312 174.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.08 -150.97 39.26 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.394 0.997 . . . . 0.0 114.87 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -75.74 149.22 38.08 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.72 0.772 . . . . 0.0 111.741 175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -72.38 -17.58 61.81 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.038 1.335 . . . . 0.0 113.046 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.04 11.01 47.41 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.443 1.497 . . . . 0.0 114.237 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -152.39 166.17 32.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.968 1.307 . . . . 0.0 112.777 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.46 179.13 37.95 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.364 0.983 . . . . 0.0 115.343 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -126.61 163.54 23.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.41 2.284 . . . . 0.0 110.537 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.35 140.23 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.913 1.285 . . . . 0.0 110.714 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 51.8 m -123.17 136.9 54.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.995 1.718 . . . . 0.0 109.036 -170.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 68.3 mtp -135.4 159.65 40.91 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -169.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.09 111.61 16.61 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 83.66 139.28 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 129.0 2.92 . . . . 0.0 113.352 171.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.14 -32.73 6.53 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 111.791 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.23 -22.3 61.27 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.333 1.053 . . . . 0.0 113.396 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -88.84 -27.7 20.89 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.441 1.096 . . . . 0.0 112.202 172.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -78.66 -42.39 28.79 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.013 0.925 . . . . 0.0 112.734 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.21 -21.02 46.15 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -65.72 -31.06 71.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.636 1.174 . . . . 0.0 111.81 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.41 -37.71 22.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.816 1.246 . . . . 0.0 111.942 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -55.75 -42.03 74.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.999 0.818 . . . . 0.0 111.388 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.84 -15.38 61.61 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -98.4 -44.3 6.57 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.686 1.194 . . . . 0.0 112.478 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -97.97 -28.56 13.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.978 0.911 . . . . 0.0 113.272 -169.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.08 123.97 19.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 119.669 1.122 . . . . 0.0 111.949 169.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.1 52.27 4.66 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.303 0.478 . . . . 0.0 113.268 176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.7 t -153.0 171.86 17.72 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.542 1.537 . . . . 0.0 110.494 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 52.1 m -127.76 132.54 49.52 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.122 1.769 . . . . 0.0 109.502 -173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.0 mt -123.61 -105.89 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.178 0.991 . . . . 0.0 109.839 -174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.18 69.44 8.9 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.277 1.031 . . . . 0.0 111.75 -173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 72.72 7.46 69.65 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.776 1.179 . . . . 0.0 114.309 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -143.72 143.12 31.26 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.776 1.63 . . . . 0.0 111.595 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -63.98 149.93 46.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.876 1.27 . . . . 0.0 109.543 168.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.28 145.2 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.899 1.68 . . . . 0.0 109.281 176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -138.78 136.09 35.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.154 1.782 . . . . 0.0 108.178 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 64.9 t -143.8 135.94 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.452 1.501 . . . . 0.0 110.375 -168.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -159.33 169.29 24.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.397 1.079 . . . . 0.0 112.451 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.16 152.47 24.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.644 1.178 . . . . 0.0 111.923 175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.18 168.35 19.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.796 0.838 . . . . 0.0 112.485 178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.3 t -153.36 171.89 17.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.329 1.452 . . . . 0.0 111.574 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -67.39 164.61 18.26 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.569 1.547 . . . . 0.0 111.572 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -80.46 52.01 1.55 Allowed 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.989 -1.069 . . . . 0.0 112.883 -170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 24.7 m -152.71 171.04 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 128.698 2.799 . . . . 0.0 110.199 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -152.46 167.23 29.44 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.879 1.271 . . . . 0.0 113.325 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -157.87 146.44 19.17 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.637 1.575 . . . . 0.0 110.992 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -67.93 127.86 34.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.422 1.089 . . . . 0.0 112.626 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -82.3 82.55 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.719 1.208 . . . . 0.0 110.118 171.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -83.31 -9.31 59.16 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -170.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -153.96 133.88 7.71 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.397 1.479 . . . . 0.0 110.672 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -57.43 -44.93 38.01 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.371 2.714 . . . . 0.0 113.363 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.5 tp 70.77 -27.37 0.17 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.466 2.706 . . . . 0.0 114.732 172.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 25.6 mmt -80.94 49.03 1.16 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.354 1.862 . . . . 0.0 111.963 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.4 m -78.56 -3.26 42.82 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.497 1.519 . . . . 0.0 114.768 -169.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.253 1.267 0 C-N-CA 127.112 2.165 . . . . 0.0 111.826 -177.747 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.6 p -161.87 164.38 28.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.097 1.359 . . . . 0.0 111.939 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -144.53 168.42 20.18 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.309 1.844 . . . . 0.0 111.06 -173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -155.08 155.67 34.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.433 1.493 . . . . 0.0 111.922 178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.76 -25.03 41.14 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -169.0 147.29 3.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 126.653 1.981 . . . . 0.0 110.642 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -78.53 167.56 22.55 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.899 3.066 . . . . 0.0 111.542 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -74.33 116.65 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.17 149.91 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.188 1.395 . . . . 0.0 110.878 -173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.53 -107.14 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.18 1.371 . . . . 0.0 111.786 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 38.3 m 65.78 30.03 10.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.004 1.322 . . . . 0.0 113.611 174.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -150.32 -177.25 5.84 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.872 1.669 . . . . 0.0 112.495 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.91 170.47 14.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.184 1.794 . . . . 0.0 111.48 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -113.93 -166.74 1.12 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.481 1.912 . . . . 0.0 110.811 -176.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.6 ptp -152.66 -154.02 0.51 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.838 1.255 . . . . 0.0 112.405 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -73.44 -170.67 0.85 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.621 1.968 . . . . 0.0 114.137 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 40.0 p -64.93 2.76 0.66 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.726 2.81 . . . . 0.0 116.307 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -51.12 147.13 5.62 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.29 127.21 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.979 2.112 . . . . 0.0 109.239 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -72.1 157.63 37.42 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.218 1.407 . . . . 0.0 110.229 169.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -153.23 84.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.52 1.128 . . . . 0.0 109.507 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.99 179.87 26.73 Favored Glycine 0 N--CA 1.472 1.035 0 C-N-CA 123.801 0.715 . . . . 0.0 113.02 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.23 -101.06 0.92 Allowed Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.598 0.999 . . . . 0.0 115.598 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 mt 54.18 -172.16 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 126.195 1.798 . . . . 0.0 111.011 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.79 11.99 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.251 0 C-N-CA 122.985 2.456 . . . . 0.0 114.275 165.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.45 ' CZ ' " H1'" ' C' ' 7' ' ' ' G' . 24.2 t80 64.44 -64.85 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 129.873 3.269 . . . . 0.0 114.168 -173.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -81.77 13.97 2.92 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.318 1.847 . . . . 0.0 113.703 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.46 144.93 7.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 129.808 3.243 . . . . 0.0 113.544 -175.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 19.5 m -70.34 148.83 48.0 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 111.638 169.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.63 -28.38 69.07 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -172.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.3 -20.54 51.28 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -61.07 -58.27 9.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.766 1.226 . . . . 0.0 110.109 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.0 tp -42.67 -51.09 5.38 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.849 1.26 . . . . 0.0 112.912 170.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -62.65 -43.61 98.38 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 121.52 -0.737 . . . . 0.0 112.625 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -63.43 -31.26 72.37 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.703 1.201 . . . . 0.0 112.844 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -73.4 -50.37 22.16 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.272 -0.892 . . . . 0.0 111.645 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -79.71 -15.58 57.27 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.67 -9.9 58.16 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.063 1.302 . . . . 0.0 112.972 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.42 -8.35 58.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.988 1.315 . . . . 0.0 112.292 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -96.07 -14.06 23.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.437 1.495 . . . . 0.0 113.103 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.44 -174.2 22.12 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.29 1.9 . . . . 0.0 112.553 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.4 137.56 57.56 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.183 0.993 . . . . 0.0 112.458 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -97.41 137.7 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.285 1.434 . . . . 0.0 108.465 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -61.57 1.95 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 168.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -150.36 135.06 17.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.146 1.778 . . . . 0.0 109.013 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.92 132.23 32.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.524 1.13 . . . . 0.0 109.89 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 15.8 m -152.25 143.44 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.652 1.181 . . . . 0.0 112.206 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.9 t -93.13 125.91 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -71.5 129.89 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.296 0.639 . . . . 0.0 109.677 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -109.6 176.88 4.91 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.013 1.325 . . . . 0.0 110.243 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -115.23 121.17 42.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.588 0.755 . . . . 0.0 111.32 172.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -0.13 8.66 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -90.7 -22.19 21.25 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.69 1.196 . . . . 0.0 112.601 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 82.0 p -135.55 -23.11 1.44 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.356 1.462 . . . . 0.0 114.068 -171.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 72.78 22.46 3.14 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 128.456 2.702 . . . . 0.0 112.028 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -101.76 150.27 23.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.847 1.259 . . . . 0.0 111.478 -176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.1 m -75.7 129.49 37.18 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.411 -0.806 . . . . 0.0 112.098 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 ttm105 -83.69 151.67 25.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.631 1.573 . . . . 0.0 108.094 167.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.35 -34.38 74.49 Favored Glycine 0 N--CA 1.472 1.084 0 N-CA-C 115.537 0.975 . . . . 0.0 115.537 -168.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.61 146.26 24.26 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.88 179.34 17.16 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.752 2.12 . . . . 0.0 111.946 169.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -138.21 144.71 40.76 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.61 1.964 . . . . 0.0 110.498 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 80.9 t -135.89 140.86 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.319 1.448 . . . . 0.0 108.971 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.8 m -139.3 136.81 35.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.933 1.693 . . . . 0.0 107.191 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mmm -115.63 149.76 37.79 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.835 0.854 . . . . 0.0 112.44 -169.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.05 -37.11 78.88 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -138.0 154.99 49.29 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.205 1.402 . . . . 0.0 113.104 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -50.69 -43.12 57.52 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 113.912 -1.494 . . . . 0.0 113.408 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.35 86.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.196 0.907 . . . . 0.0 112.367 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.3 m -60.15 -43.94 95.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.438 0.695 . . . . 0.0 110.719 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.71 83.79 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.26 -45.62 92.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.94 0.896 . . . . 0.0 111.452 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -60.0 -39.51 86.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.699 1.2 . . . . 0.0 112.021 172.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.01 -11.56 61.04 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 99.3 m -107.03 17.0 23.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.448 1.899 . . . . 0.0 112.87 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -49.5 -45.4 47.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.017 1.327 . . . . 0.0 112.824 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 153.67 78.88 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 125.647 1.579 . . . . 0.0 111.783 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -88.19 3.58 5.99 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.736 2.957 . . . . 0.0 113.944 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -156.57 62.6 2.94 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 124.863 1.265 . . . . 0.0 112.167 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.63 146.1 38.23 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.838 2.359 . . . . 0.0 111.186 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.54 118.18 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 170.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.4 mt -118.5 111.72 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 54.84 32.23 17.28 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.232 1.813 . . . . 0.0 113.822 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.62 39.01 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.135 1.35 . . . . 0.0 116.144 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -144.67 136.07 25.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.387 1.594 . . . . 0.0 112.066 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -65.58 112.59 3.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.125 1.37 . . . . 0.0 113.256 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.46 -164.23 0.19 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.755 1.622 . . . . 0.0 112.897 169.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -156.8 121.47 4.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.336 1.454 . . . . 0.0 108.587 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 42.6 t -124.49 142.23 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.256 1.423 . . . . 0.0 110.807 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -170.96 144.5 2.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.904 2.081 . . . . 0.0 110.498 -177.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.62 117.57 6.99 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.35 -9.59 58.86 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 -164.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -54.82 -15.28 1.81 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -172.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 71.6 mt -51.66 -40.42 59.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.308 1.443 . . . . 0.0 112.32 170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.2 2.32 0.97 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 116.616 1.406 . . . . 0.0 116.616 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.17 145.29 21.63 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -74.29 155.05 88.13 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 124.792 1.237 . . . . 0.0 112.917 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.91 150.86 81.49 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.349 3.366 . . . . 0.0 115.418 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -155.57 154.46 31.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.893 2.477 . . . . 0.0 109.691 169.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 51.1 p -91.08 -13.48 33.06 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.278 1.431 . . . . 0.0 113.248 174.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 71.59 23.45 3.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.096 2.158 . . . . 0.0 112.045 -171.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.6 p -171.97 89.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 127.294 2.238 . . . . 0.0 109.319 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -162.15 153.64 18.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.739 1.216 . . . . 0.0 111.48 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.39 -41.61 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 112.269 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.352 1.861 . . . . 0.0 112.058 -178.476 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.451 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.55 4.35 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.979 0 C4'-C3'-C2' 99.73 -2.97 . 0.287 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 1 O4'-C1'-N19 112.368 4.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C3'-C2'-C1' 103.549 2.276 . 0.198 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.7 4.5 . 0.23 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C4'-C3' 109.068 2.549 . 0.31 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.45 " H1'" ' CZ ' ' B' ' 44' ' ' TYR . . . . . . . . 0 C5'--C4' 1.538 2.159 3 O4'-C1'-N19 116.375 8.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.287 1 O4'-C1'-N19 114.647 6.447 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 112.532 4.332 . 0.075 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 1 O4'-C1'-N19 113.859 5.659 . 0.103 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.426 0 O4'-C1'-N19 110.557 2.357 . 0.028 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -158.92 132.29 7.31 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.456 1.502 . . . . 0.0 110.917 -177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.39 176.66 45.15 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.604 1.097 . . . . 0.0 114.057 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.99 -14.73 12.15 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.627 2.885 . . . . 0.0 114.598 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 66.17 -16.33 0.12 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.526 2.33 . . . . 0.0 115.706 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -106.52 146.21 30.89 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.449 1.499 . . . . 0.0 110.161 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 95.6 mt -133.7 142.37 47.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 127.153 2.181 . . . . 0.0 108.451 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -93.64 147.32 23.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.62 1.568 . . . . 0.0 108.926 167.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.83 129.11 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.417 1.487 . . . . 0.0 107.584 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -132.79 156.18 47.57 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.825 1.25 . . . . 0.0 112.846 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 t30 63.86 20.92 12.44 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.042 2.137 . . . . 0.0 113.046 -170.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -51.16 145.38 13.1 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.019 1.728 . . . . 0.0 111.717 169.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.46 146.23 91.28 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.176 2.584 . . . . 0.0 113.089 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 5.6 m-30 -60.9 -17.25 49.7 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 170.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -126.56 102.2 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.078 1.351 . . . . 0.0 109.48 171.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -156.05 161.93 40.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.961 1.304 . . . . 0.0 112.349 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.61 166.59 22.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.344 1.458 . . . . 0.0 111.816 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -72.97 -52.55 5.62 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 117.483 -1.246 . . . . 0.0 113.076 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.23 -16.72 44.58 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.191 1.927 . . . . 0.0 113.485 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -80.19 -12.32 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.311 1.045 . . . . 0.0 112.315 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 tp -95.78 -51.6 4.43 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 125.476 1.51 . . . . 0.0 110.315 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.6 m -48.24 -43.74 32.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.222 1.809 . . . . 0.0 113.008 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.69 -21.67 66.51 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 22.3 mtm -74.38 -29.5 61.57 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.914 0.779 . . . . 0.0 112.51 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -94.55 -33.66 12.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.692 1.197 . . . . 0.0 111.997 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -54.28 -17.72 3.22 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.715 1.606 . . . . 0.0 114.723 174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -82.61 -8.37 59.61 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.66 -26.51 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.788 1.235 . . . . 0.0 113.911 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -163.78 158.28 30.74 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.924 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.16 131.8 31.78 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.637 2.225 . . . . 0.0 111.531 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.41 132.31 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.698 1.599 . . . . 0.0 109.456 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.3 t -107.19 -29.36 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.033 1.733 . . . . 0.0 111.951 -174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -155.4 162.51 40.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.46 1.504 . . . . 0.0 110.704 175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.5 p -158.98 141.81 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.742 2.017 . . . . 0.0 108.5 -173.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.13 135.35 33.99 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.391 1.076 . . . . 0.0 110.072 -169.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -128.07 127.31 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 mm -91.88 149.33 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -130.91 147.12 52.51 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.077 0.951 . . . . 0.0 113.276 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -160.93 115.25 2.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.869 1.268 . . . . 0.0 111.873 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 61.56 -96.74 0.06 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.089 2.155 . . . . 0.0 113.652 172.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -78.63 -13.73 59.67 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -168.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.12 -143.73 6.92 Favored Glycine 0 N--CA 1.47 0.963 0 C-N-CA 124.57 1.081 . . . . 0.0 112.601 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.6 p -63.69 151.87 40.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 117.601 0.701 . . . . 0.0 110.815 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -72.42 10.11 0.88 Allowed 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.553 -1.342 . . . . 0.0 112.408 173.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.49 70.67 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.723 1.63 . . . . 0.0 114.554 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -153.25 169.96 21.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.741 1.771 . . . . 0.0 114.576 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.58 -169.92 28.82 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.229 1.395 . . . . 0.0 115.016 -174.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -140.06 168.51 19.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.439 1.895 . . . . 0.0 110.369 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.19 146.96 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.136 1.374 . . . . 0.0 110.74 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.7 m -133.44 133.36 42.22 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.152 1.381 . . . . 0.0 110.635 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.6 mmm -107.9 163.09 13.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.654 1.582 . . . . 0.0 112.623 -169.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -68.52 -31.0 69.94 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.091 0.956 . . . . 0.0 111.976 170.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -141.69 134.94 14.31 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.2 1.4 . . . . 0.0 110.474 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.95 -25.03 12.36 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.78 2.32 . . . . 0.0 112.825 -175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.22 -19.49 61.71 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.788 0.835 . . . . 0.0 112.819 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -97.19 -11.05 24.71 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.004 1.322 . . . . 0.0 112.965 172.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -72.53 -56.01 6.05 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.615 0.766 . . . . 0.0 109.102 169.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.75 -22.78 15.15 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -67.44 -31.54 71.8 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.566 0.746 . . . . 0.0 112.99 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -82.27 -42.6 18.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.109 0.964 . . . . 0.0 111.451 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -53.2 -40.89 64.77 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.882 1.273 . . . . 0.0 112.476 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.83 -16.2 64.12 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -100.7 -59.35 1.72 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.7 1.2 . . . . 0.0 111.099 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.91 3.06 8.87 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.67 119.17 38.36 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.84 0.746 . . . . 0.0 111.815 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 79.39 46.49 8.04 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.781 0.705 . . . . 0.0 112.613 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.8 t -144.9 172.08 13.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.489 1.516 . . . . 0.0 111.751 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 64.2 m -141.59 136.04 30.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.42 2.288 . . . . 0.0 109.261 -174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 56.8 mt -93.05 -80.04 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -151.69 112.13 4.15 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.767 1.227 . . . . 0.0 109.869 173.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.85 -0.59 20.42 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.948 1.261 . . . . 0.0 115.544 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -144.3 126.04 15.17 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.042 1.737 . . . . 0.0 111.203 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -74.12 168.15 20.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 111.212 169.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.02 144.03 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.906 1.682 . . . . 0.0 109.815 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -137.11 146.67 45.34 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.51 1.524 . . . . 0.0 109.677 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 74.1 t -150.18 135.92 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.002 1.721 . . . . 0.0 108.791 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -158.14 161.94 37.93 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.41 0.684 . . . . 0.0 112.801 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 69.9 mt -52.73 146.15 10.92 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.889 1.276 . . . . 0.0 112.312 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.76 174.07 10.7 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.621 1.168 . . . . 0.0 112.285 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 7.2 t -148.5 157.68 43.63 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.086 0.954 . . . . 0.0 112.584 -169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.69 152.87 44.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.745 1.618 . . . . 0.0 111.436 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -77.89 18.88 0.44 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -168.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.8 m -157.22 155.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 127.386 2.274 . . . . 0.0 111.038 -169.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -89.09 0.4 56.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.646 1.179 . . . . 0.0 114.092 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.11 125.81 26.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.881 1.272 . . . . 0.0 112.041 -177.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -162.82 174.96 11.75 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.364 1.466 . . . . 0.0 112.882 -172.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -131.01 142.33 50.32 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.664 1.585 . . . . 0.0 111.296 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -137.59 0.59 2.27 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.841 1.257 . . . . 0.0 114.317 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.46 ' H ' ' HD2' ' A' ' 185' ' ' PRO . 56.8 mtmt -140.52 -54.98 0.02 OUTLIER Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 125.706 1.602 . . . . 0.0 112.813 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.46 ' HD2' ' H ' ' A' ' 184' ' ' LYS . 74.5 Cg_endo -71.38 139.77 35.43 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.6 2.2 . . . . 0.0 110.266 170.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.4 HD13 ' H ' ' A' ' 187' ' ' MET . 0.1 OUTLIER -162.39 148.21 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.529 1.532 . . . . 0.0 109.478 -175.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . 0.4 ' H ' HD13 ' A' ' 186' ' ' LEU . 95.4 mmm -75.5 -12.83 60.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 72.65 3.93 4.83 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.446 1.898 . . . . 0.0 114.443 175.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.253 1.251 0 C-N-CA 127.117 2.167 . . . . 0.0 111.996 -178.607 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 53.9 p -97.3 -5.04 37.55 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -63.75 128.38 35.57 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.656 1.582 . . . . 0.0 110.891 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -161.97 155.63 21.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.541 1.536 . . . . 0.0 111.386 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.22 13.5 2.21 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.566 1.546 . . . . 0.0 114.23 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.98 131.02 6.23 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 124.796 1.238 . . . . 0.0 110.672 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.49 148.92 30.25 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.168 2.578 . . . . 0.0 111.34 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.56 49.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.276 1.43 . . . . 0.0 112.953 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.33 0.88 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.49 1.516 . . . . 0.0 114.175 -176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.08 -3.79 61.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.819 1.199 . . . . 0.0 114.002 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -154.23 164.99 37.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.869 2.068 . . . . 0.0 109.779 171.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.07 141.64 15.41 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.007 0.923 . . . . 0.0 111.808 -174.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 71.16 161.62 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 128.058 2.543 . . . . 0.0 114.569 174.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.1 p -147.23 154.4 40.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.19 2.196 . . . . 0.0 109.592 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -138.8 137.87 37.04 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 111.155 -170.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -130.12 10.91 5.45 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.519 1.128 . . . . 0.0 113.879 -169.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -120.09 6.84 10.78 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.871 2.068 . . . . 0.0 111.958 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -137.7 140.36 40.7 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.939 1.696 . . . . 0.0 112.788 -169.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.5 mt -144.45 128.67 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.615 1.566 . . . . 0.0 111.737 -167.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -94.54 120.52 34.9 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.085 2.554 . . . . 0.0 110.296 170.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -139.0 128.87 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -118.16 0.02 OUTLIER Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.887 1.708 . . . . 0.0 114.283 170.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 -154.03 44.16 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 118.223 1.011 . . . . 0.0 112.361 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 mt 70.1 160.8 0.15 Allowed Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.691 1.997 . . . . 0.0 113.937 168.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.55 -3.67 14.08 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.59 2.193 . . . . 0.0 111.914 167.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 85.45 -66.44 0.04 OUTLIER 'General case' 0 C--N 1.348 0.514 0 C-N-CA 129.582 3.153 . . . . 0.0 109.667 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -72.96 105.93 4.65 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.356 1.463 . . . . 0.0 110.399 171.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -164.84 -178.05 5.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.37 2.268 . . . . 0.0 109.768 -169.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 74.1 p -94.13 -93.63 0.17 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.702 1.201 . . . . 0.0 112.102 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -168.87 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.809 2.044 . . . . 0.0 112.585 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -66.09 -20.82 66.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 22.3 m -49.97 -70.01 0.1 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.946 2.499 . . . . 0.0 111.957 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.96 -44.65 60.61 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -61.4 -40.98 96.36 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.933 -0.479 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.47 -35.43 77.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.049 0.94 . . . . 0.0 112.392 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.51 -45.67 75.11 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.207 -0.933 . . . . 0.0 112.471 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -77.78 -5.25 50.11 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 -19.16 64.63 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.171 1.388 . . . . 0.0 113.135 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -72.57 -13.15 61.33 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -101.99 -8.6 21.37 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -171.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.69 -144.39 12.63 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.402 1.477 . . . . 0.0 112.735 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -98.64 140.07 33.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.888 1.275 . . . . 0.0 109.839 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.4 131.42 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.703 1.201 . . . . 0.0 107.867 -171.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -58.84 3.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.976 0.91 . . . . 0.0 108.961 172.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.45 143.57 10.28 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.899 2.08 . . . . 0.0 108.281 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 142.1 30.47 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.252 1.021 . . . . 0.0 110.342 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 m -151.26 151.17 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.509 1.124 . . . . 0.0 112.619 -169.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.7 132.16 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.821 1.648 . . . . 0.0 107.911 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.1 125.02 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.53 0.681 . . . . 0.0 111.269 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 59.5 p -141.55 159.43 42.24 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.021 2.128 . . . . 0.0 108.999 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.73 123.85 26.29 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.746 -0.596 . . . . 0.0 111.035 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.89 -17.36 64.24 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -107.03 -34.03 7.3 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.711 1.204 . . . . 0.0 113.514 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 47.0 p -111.73 -15.25 13.46 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 73.54 7.41 5.09 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.925 2.49 . . . . 0.0 113.986 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.94 130.99 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.915 -1.115 . . . . 0.0 111.109 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 26.5 t -73.77 156.12 38.17 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.97 -11.77 17.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.573 1.549 . . . . 0.0 112.255 173.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.04 -15.94 62.05 Favored Glycine 0 N--CA 1.471 1.011 0 C-N-CA 125.704 1.621 . . . . 0.0 116.2 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -141.17 169.63 17.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.828 1.251 . . . . 0.0 112.961 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.95 -179.0 22.7 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 122.616 1.12 . . . . 0.0 115.43 -175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -135.52 139.75 44.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 126.245 1.818 . . . . 0.0 109.508 -171.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.5 140.48 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.816 1.646 . . . . 0.0 109.118 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -135.25 133.7 39.23 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 107.967 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.0 mmm -109.91 148.88 30.76 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.733 1.213 . . . . 0.0 111.999 -173.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.15 -35.58 79.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -131.58 157.89 42.43 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.247 1.419 . . . . 0.0 112.578 170.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -62.05 -28.27 69.48 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.29 -1.323 . . . . 0.0 113.191 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.04 89.7 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.964 1.256 . . . . 0.0 110.969 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.7 -26.24 67.68 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.702 0.801 . . . . 0.0 112.768 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.48 -34.82 60.91 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 112.796 170.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.48 -37.62 85.49 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.264 0.938 . . . . 0.0 111.872 172.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -65.53 -40.0 92.42 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.436 0.694 . . . . 0.0 111.876 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.16 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.506 0.722 . . . . 0.0 112.769 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 90.6 m -87.33 16.7 5.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.652 1.581 . . . . 0.0 114.151 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -63.23 -52.23 63.03 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.187 -0.946 . . . . 0.0 111.939 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -101.47 142.48 24.7 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.059 1.344 . . . . 0.0 111.645 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -88.26 -19.93 1.86 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 113.361 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -151.06 56.82 2.16 Favored Pre-proline 0 CA--C 1.554 1.134 0 C-N-CA 126.161 1.784 . . . . 0.0 111.449 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.2 156.49 55.27 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.44 2.76 . . . . 0.0 111.506 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.09 129.45 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 27.7 mt -133.42 108.79 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 14.8 t70 54.39 34.02 19.85 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.201 1.8 . . . . 0.0 113.919 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.87 6.3 43.33 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 118.007 -1.441 . . . . 0.0 116.344 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -138.56 146.1 41.44 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.365 1.583 . . . . 0.0 112.084 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -63.49 119.95 10.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.517 1.127 . . . . 0.0 112.038 172.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.48 -165.16 1.19 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 112.451 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -160.05 121.83 3.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.529 1.931 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.0 t -106.35 133.77 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.579 1.152 . . . . 0.0 110.456 -169.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -159.98 137.61 9.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.263 1.425 . . . . 0.0 111.692 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.69 122.03 17.19 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.602 0.761 . . . . 0.0 109.662 172.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 82.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.391 1.077 . . . . 0.0 113.133 -172.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -152.31 2.54 0.35 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 170.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 65.3 mt -85.08 51.73 2.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.421 1.488 . . . . 0.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.21 95.87 1.07 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 125.825 1.679 . . . . 0.0 109.378 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -127.33 -178.06 4.31 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.425 1.49 . . . . 0.0 113.873 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.35 134.67 7.43 Favored Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 125.797 1.639 . . . . 0.0 114.199 -175.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.87 150.4 61.41 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.926 3.084 . . . . 0.0 111.112 175.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -65.59 -10.03 31.99 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 25.7 p -55.97 -23.43 32.3 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.332 1.453 . . . . 0.0 113.091 170.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -79.76 -19.51 48.51 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.16 1.171 . . . . 0.0 114.16 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 p -178.52 116.41 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.961 2.104 . . . . 0.0 109.597 -174.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -93.62 18.07 10.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.353 1.061 . . . . 0.0 113.609 -171.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.97 29.53 0.17 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.63 1.572 . . . . 0.0 112.739 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.998 2.519 . . . . 0.0 111.288 -174.683 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.426 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C3'-C2'-C1' 98.087 -3.792 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C5'-C4'-O4' 113.583 3.131 . 0.013 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 O4'-C1'-N19 114.132 5.932 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 103.885 2.651 . 0.026 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 O4'-C1'-N19 112.216 4.016 . 0.41 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 2 O4'-C1'-N19 114.05 5.85 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 O4'-C1'-N19 112.423 4.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . 0.409 " H1'" ' C4 ' ' C' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.24 1 O4'-C1'-N19 114.402 6.202 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . 0.409 ' C4 ' " H1'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.424 1 O4'-C1'-N19 113.553 5.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 1 C5'-C4'-C3' 107.344 -5.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C5'-C4'-C3' 110.296 -3.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -160.39 148.53 16.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.782 1.633 . . . . 0.0 110.813 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.94 136.92 19.85 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-O 118.707 -1.052 . . . . 0.0 112.082 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.96 132.51 18.43 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.202 2.601 . . . . 0.0 111.488 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -77.34 -0.46 25.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.393 1.077 . . . . 0.0 113.838 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 69.38 167.84 0.29 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.588 2.355 . . . . 0.0 110.661 -169.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.0 mt -123.05 143.84 49.68 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.168 1.387 . . . . 0.0 110.139 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -114.01 144.69 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.107 2.163 . . . . 0.0 108.289 168.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.09 129.84 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.844 1.258 . . . . 0.0 108.465 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -132.75 161.75 33.23 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.477 1.111 . . . . 0.0 113.409 -169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.84 18.47 10.77 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.889 2.075 . . . . 0.0 112.779 -168.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -52.92 142.52 34.52 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 126.723 2.009 . . . . 0.0 109.704 167.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.05 155.18 70.57 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.565 2.177 . . . . 0.0 111.484 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.563 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 3.3 m-30 -47.54 -46.8 28.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.542 1.137 . . . . 0.0 113.614 176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -101.35 108.61 20.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 109.751 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -156.42 151.75 26.64 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.503 1.121 . . . . 0.0 112.045 -172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -149.73 166.3 29.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.143 1.377 . . . . 0.0 110.379 -171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.86 -34.2 5.01 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.109 1.364 . . . . 0.0 114.605 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.36 -24.56 71.45 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.971 2.447 . . . . 0.0 113.197 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.78 -12.13 56.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.823 1.249 . . . . 0.0 113.005 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.0 tp -105.57 -54.59 2.46 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.494 1.518 . . . . 0.0 111.537 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.0 m -54.16 -42.45 69.61 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.16 1.784 . . . . 0.0 112.077 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.16 69.2 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 30.5 mtm -68.96 -34.31 75.12 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.887 0.767 . . . . 0.0 112.302 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -89.82 -33.16 16.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.287 1.035 . . . . 0.0 112.527 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -57.01 -17.01 8.22 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.683 1.193 . . . . 0.0 113.606 172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.35 -14.56 62.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.92 -12.79 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.84 167.69 35.12 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.429 1.013 . . . . 0.0 114.203 171.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.47 126.93 12.01 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.253 2.636 . . . . 0.0 111.779 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.77 131.96 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 126.25 1.82 . . . . 0.0 108.853 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.4 t -106.23 -27.18 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 126.233 1.813 . . . . 0.0 112.161 -169.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -164.02 162.65 23.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.144 2.178 . . . . 0.0 109.662 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.46 137.91 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 126.243 1.817 . . . . 0.0 108.253 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.55 133.14 18.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -167.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.6 mm -117.26 129.7 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.782 1.633 . . . . 0.0 108.26 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.0 mm -91.97 152.8 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -134.1 169.89 16.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.532 1.533 . . . . 0.0 110.584 -178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -139.2 -69.65 0.42 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.111 0.964 . . . . 0.0 110.856 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -161.96 -56.96 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.621 1.568 . . . . 0.0 109.998 174.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -86.78 89.66 8.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.527 1.131 . . . . 0.0 109.808 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.0 -173.07 45.79 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 122.695 1.164 . . . . 0.0 115.472 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.6 p -70.73 141.31 51.53 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.627 1.571 . . . . 0.0 111.124 169.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.83 152.84 30.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.429 0.691 . . . . 0.0 111.379 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.52 20.38 0.36 Allowed Glycine 0 CA--C 1.548 2.134 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -154.71 157.77 38.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.383 1.873 . . . . 0.0 112.775 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -149.78 -176.56 23.03 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.005 1.288 . . . . 0.0 114.745 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -127.55 161.08 29.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.237 1.815 . . . . 0.0 110.815 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -156.23 147.09 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.438 1.095 . . . . 0.0 110.868 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 12.0 m -127.22 123.07 35.72 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.491 1.516 . . . . 0.0 109.796 -168.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.9 mtp -115.85 158.8 22.39 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.459 1.504 . . . . 0.0 110.871 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.66 -35.57 78.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -139.74 142.65 32.03 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.901 1.28 . . . . 0.0 111.342 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.75 -24.59 34.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.914 2.41 . . . . 0.0 112.086 174.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -71.04 -15.92 62.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.55 1.14 . . . . 0.0 113.473 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.18 -24.33 17.56 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.127 0.971 . . . . 0.0 112.455 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -71.16 -51.73 23.24 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.439 1.096 . . . . 0.0 110.467 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -46.18 -29.26 1.49 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.711 1.604 . . . . 0.0 114.966 173.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.84 -28.93 64.95 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.636 1.174 . . . . 0.0 112.692 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 159' ' ' PHE . . . -93.17 -45.92 7.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.826 1.65 . . . . 0.0 111.461 175.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.9 ttp85 -57.56 -34.04 68.76 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.503 1.121 . . . . 0.0 112.797 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.11 -17.58 64.58 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -98.46 -57.03 2.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.904 1.282 . . . . 0.0 110.522 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.415 ' CE2' ' HB1' ' A' ' 155' ' ' ALA . 8.1 m-30 -74.7 -6.98 51.81 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -169.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -98.39 120.98 39.75 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.299 0.954 . . . . 0.0 111.479 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 80.04 41.35 12.35 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.506 0.574 . . . . 0.0 112.98 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.1 t -135.13 166.71 22.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.699 1.599 . . . . 0.0 111.194 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 53.8 m -139.06 138.28 36.99 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.426 2.291 . . . . 0.0 108.559 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.96 -63.24 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.611 0.764 . . . . 0.0 110.09 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -156.2 104.06 2.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.447 1.099 . . . . 0.0 110.863 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.04 -0.17 16.73 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.381 1.467 . . . . 0.0 115.95 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -146.72 133.46 20.0 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.643 1.977 . . . . 0.0 110.411 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.5 ptt-85 -74.04 170.51 15.3 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.398 0.679 . . . . 0.0 110.978 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.71 141.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.047 1.739 . . . . 0.0 108.629 174.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.84 139.76 38.28 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.5 1.52 . . . . 0.0 109.23 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 93.9 t -146.46 126.28 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.164 1.786 . . . . 0.0 107.905 -173.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -148.87 152.28 36.17 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.273 1.029 . . . . 0.0 111.18 -170.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.6 mt -58.0 143.35 43.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.552 0.692 . . . . 0.0 111.05 172.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.42 -162.66 0.95 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.231 1.012 . . . . 0.0 111.664 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.3 t -160.01 153.9 22.98 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.103 1.361 . . . . 0.0 110.895 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -76.69 153.3 35.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.019 0.928 . . . . 0.0 111.313 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -77.01 38.54 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -167.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.42 155.06 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 127.276 2.23 . . . . 0.0 110.714 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.68 -17.37 63.48 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -66.3 134.35 52.45 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.69 1.196 . . . . 0.0 111.515 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -149.87 4.79 0.57 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -170.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -69.24 138.19 53.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.395 1.078 . . . . 0.0 111.685 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -136.84 8.87 3.04 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.839 1.256 . . . . 0.0 114.027 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -64.4 126.11 89.85 Favored Pre-proline 0 CA--C 1.553 1.07 0 O-C-N 121.021 -1.049 . . . . 0.0 111.758 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.11 137.69 21.8 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.981 2.454 . . . . 0.0 110.211 173.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 88.0 mt -116.77 5.68 13.13 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.802 1.241 . . . . 0.0 112.847 -177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 64.4 mtt -146.98 159.09 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.007 2.123 . . . . 0.0 110.633 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 52.3 p -88.02 3.93 47.02 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 125.811 1.644 . . . . 0.0 114.116 -179.309 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.6 m -147.76 154.22 40.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.956 1.302 . . . . 0.0 111.697 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.1 m -63.9 133.45 53.31 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.066 1.347 . . . . 0.0 110.543 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 41.0 p-10 -144.5 15.11 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.909 1.284 . . . . 0.0 114.185 -171.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.8 154.68 30.3 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.952 1.701 . . . . 0.0 111.346 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -162.81 133.44 3.51 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 125.549 1.54 . . . . 0.0 109.642 -174.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.86 151.94 40.88 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.411 2.741 . . . . 0.0 111.617 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.68 159.99 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.966 1.707 . . . . 0.0 110.818 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.52 120.96 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.961 1.304 . . . . 0.0 109.324 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.39 -27.69 2.79 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.672 1.606 . . . . 0.0 113.999 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -68.62 4.54 1.37 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.745 2.418 . . . . 0.0 115.665 -170.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 20.22 1.38 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.932 1.693 . . . . 0.0 113.374 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -106.08 -54.91 2.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.493 1.117 . . . . 0.0 111.945 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -134.76 -12.0 2.3 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -172.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 42.3 tpp -161.1 138.29 8.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.026 1.33 . . . . 0.0 111.106 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -108.4 -32.09 7.57 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.79 1.236 . . . . 0.0 113.082 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -97.67 19.41 13.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.793 1.637 . . . . 0.0 113.868 -170.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -74.96 135.74 41.37 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.449 1.1 . . . . 0.0 112.688 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 mt -145.93 118.62 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.78 1.232 . . . . 0.0 111.396 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -84.98 113.31 21.33 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.597 1.959 . . . . 0.0 109.046 168.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.88 98.73 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.644 0.777 . . . . 0.0 111.531 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 166.21 48.04 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 166.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.32 -154.69 18.52 Favored Glycine 0 N--CA 1.475 1.263 0 C-N-CA 124.41 1.005 . . . . 0.0 111.224 -169.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 mt 71.68 143.83 0.1 OUTLIER Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 127.053 2.141 . . . . 0.0 113.751 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.4 -2.67 12.86 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.376 2.717 . . . . 0.0 113.312 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 89.98 -34.46 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.721 2.808 . . . . 0.0 111.516 172.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.15 -5.93 48.92 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.88 178.63 7.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.764 1.625 . . . . 0.0 113.327 -173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -129.15 -174.72 3.35 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.515 1.926 . . . . 0.0 112.841 -173.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -67.25 -25.54 66.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -168.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.28 -22.0 48.91 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.5 m -58.83 -58.56 8.07 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.758 1.623 . . . . 0.0 112.002 -169.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.91 -48.1 70.5 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.776 1.231 . . . . 0.0 113.925 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -61.93 -39.9 93.65 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.797 -0.564 . . . . 0.0 111.862 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -68.1 -13.78 62.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.035 1.334 . . . . 0.0 113.804 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -94.72 -49.68 5.5 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.511 1.051 . . . . 0.0 112.488 172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -73.49 -11.11 60.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.88 1.066 . . . . 0.0 113.88 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -9.96 43.88 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 172.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.9 -17.15 61.07 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -93.66 -11.19 32.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.159 . . . . 0.0 113.865 -171.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.81 -122.4 1.33 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 125.171 1.367 . . . . 0.0 111.944 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -126.95 136.58 52.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.955 1.702 . . . . 0.0 110.392 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.6 mt -93.27 131.52 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.032 1.333 . . . . 0.0 108.685 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.36 3.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.173 0.989 . . . . 0.0 108.657 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.34 141.05 10.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.842 2.057 . . . . 0.0 107.616 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.65 141.7 35.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.261 1.024 . . . . 0.0 110.271 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -147.55 152.79 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.031 1.332 . . . . 0.0 111.619 -169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.8 t -114.11 135.33 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.791 1.236 . . . . 0.0 108.663 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 37.3 mm -85.59 126.64 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.759 0.824 . . . . 0.0 109.473 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 38.0 p -127.99 161.35 29.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.973 1.309 . . . . 0.0 114.435 -166.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.5 138.24 44.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.9 1.68 . . . . 0.0 111.326 169.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -69.94 -21.72 63.25 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -172.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -107.08 -33.76 7.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.607 1.163 . . . . 0.0 113.444 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.5 p -101.91 -19.52 15.23 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.288 1.035 . . . . 0.0 113.216 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 67.53 10.82 8.03 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.91 2.084 . . . . 0.0 112.764 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -83.01 146.38 28.78 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.319 1.048 . . . . 0.0 111.598 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 42.3 t -57.78 143.41 42.21 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -83.11 12.25 5.35 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.321 1.848 . . . . 0.0 112.029 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.9 36.03 29.6 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 127.399 2.428 . . . . 0.0 113.563 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -173.64 155.2 2.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.937 1.695 . . . . 0.0 113.347 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 -176.83 18.3 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 125.314 1.435 . . . . 0.0 113.568 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -134.28 137.31 44.18 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.877 1.671 . . . . 0.0 110.021 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.61 142.8 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.467 1.507 . . . . 0.0 109.3 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.2 m -139.46 134.12 31.89 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.793 1.637 . . . . 0.0 107.313 171.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.5 mmm -109.8 149.31 30.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.101 0.96 . . . . 0.0 112.581 -172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -60.85 -37.79 83.31 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.48 157.42 45.87 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.784 1.634 . . . . 0.0 111.833 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -62.14 -32.93 73.58 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -171.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.72 87.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.963 0.801 . . . . 0.0 111.852 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -66.06 -33.62 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.786 0.834 . . . . 0.0 112.164 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.87 58.57 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.391 -0.818 . . . . 0.0 112.847 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.88 -35.19 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.942 0.792 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -71.94 -41.3 67.98 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.454 1.102 . . . . 0.0 112.289 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.2 -35.74 74.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.102 0.561 . . . . 0.0 111.97 170.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 74.7 m -88.21 14.27 9.69 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.428 1.491 . . . . 0.0 114.175 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.15 -47.69 78.93 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.274 -0.891 . . . . 0.0 111.673 176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -107.59 140.95 22.05 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 125.39 1.476 . . . . 0.0 111.575 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -87.59 -18.11 2.6 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.669 2.913 . . . . 0.0 113.349 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -151.04 58.81 3.03 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.956 1.703 . . . . 0.0 111.155 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -69.48 160.53 49.44 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.456 2.771 . . . . 0.0 111.372 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 34.1 mm -81.38 128.19 38.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -136.37 121.67 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.584 1.554 . . . . 0.0 107.396 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.6 t70 58.17 27.27 14.82 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.511 1.524 . . . . 0.0 113.731 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.85 17.07 55.21 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.958 1.266 . . . . 0.0 115.108 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -145.78 149.33 34.17 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.452 1.501 . . . . 0.0 111.187 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -69.55 119.92 14.54 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.285 -0.884 . . . . 0.0 112.452 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.87 -170.69 3.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.446 1.898 . . . . 0.0 112.383 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -155.82 127.74 7.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.567 1.547 . . . . 0.0 109.821 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -113.12 133.38 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.934 1.294 . . . . 0.0 109.859 -170.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -160.59 133.56 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.192 1.797 . . . . 0.0 109.795 -171.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.0 23.6 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.971 2.109 . . . . 0.0 115.173 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 50.6 57.2 6.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.076 2.15 . . . . 0.0 113.526 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -138.96 -0.68 1.85 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.8 mt -90.76 51.94 2.08 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.83 1.652 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.03 94.9 1.07 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 -168.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.85 174.25 10.15 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.024 1.33 . . . . 0.0 114.351 -169.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.98 131.32 22.54 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.078 1.351 . . . . 0.0 112.572 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.9 151.61 48.04 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 124.232 3.288 . . . . 0.0 112.611 171.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -55.13 123.87 15.06 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.194 0.998 . . . . 0.0 111.935 -175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . 0.613 HG22 ' H ' ' B' ' 119' ' ' ASN . 7.2 m -63.15 -178.28 0.23 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.853 2.461 . . . . 0.0 111.067 177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . 0.613 ' H ' HG22 ' B' ' 118' ' ' THR . 27.7 p-10 -59.37 18.98 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 118.693 2.849 . . . . 0.0 118.693 -169.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.36 107.3 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.351 2.261 . . . . 0.0 105.937 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -122.89 34.01 5.25 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.755 1.222 . . . . 0.0 111.933 -168.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 29.1 tp -70.66 -8.18 49.97 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.125 1.37 . . . . 0.0 112.766 172.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 128.415 2.686 . . . . 0.0 110.95 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.563 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 O4'-C1'-N19 111.998 3.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O5'-C5'-C4' 113.556 2.397 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 1 O4'-C1'-N19 113.481 5.281 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O5'-C5'-C4' 113.297 2.212 . 0.055 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.445 1 O4'-C1'-N19 112.401 4.201 . 0.281 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 110.561 2.361 . 0.43 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 114.322 6.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 1 O4'-C1'-N19 115.136 6.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.795 -2.905 . 0.174 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 2 O4'-C1'-N19 113.198 4.998 . 0.29 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.555 3.355 . 0.072 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C5'-C4'-C3' 111.402 -2.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.701 -0.559 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -159.4 145.19 16.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 111.143 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -172.16 176.17 45.25 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.68 1.133 . . . . 0.0 113.921 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.71 153.33 59.42 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.801 3.001 . . . . 0.0 112.869 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -79.67 13.05 2.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.899 1.68 . . . . 0.0 114.635 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 75.68 168.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.836 2.455 . . . . 0.0 111.272 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.6 mt -125.94 143.87 50.91 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.841 1.656 . . . . 0.0 109.581 172.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -111.98 150.13 31.0 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.404 2.281 . . . . 0.0 109.983 173.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.7 t -136.73 140.78 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.843 1.657 . . . . 0.0 108.392 -173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 t -144.06 166.26 25.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.861 0.864 . . . . 0.0 113.07 -169.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 66.26 7.07 4.62 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 128.305 2.642 . . . . 0.0 113.72 -174.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 mt -46.02 144.25 3.03 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 128.386 2.674 . . . . 0.0 113.301 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -56.55 145.34 81.19 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.251 2.634 . . . . 0.0 112.781 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.536 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 0.1 OUTLIER -49.83 -35.9 24.74 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -110.68 12.86 22.54 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 114.121 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.18 162.96 18.73 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.908 1.683 . . . . 0.0 114.418 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -130.85 171.17 13.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.334 1.454 . . . . 0.0 112.175 -171.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.95 -44.38 1.79 Allowed Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.673 1.589 . . . . 0.0 114.804 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.26 -6.8 18.93 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.363 2.042 . . . . 0.0 113.9 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -90.18 -10.42 44.53 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.427 1.091 . . . . 0.0 112.245 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.6 tp -102.96 -49.37 3.79 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.904 1.682 . . . . 0.0 110.688 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 86.6 m -51.15 -40.31 58.29 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.85 2.06 . . . . 0.0 111.666 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -10.38 48.09 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 47.0 mtm -83.0 -47.94 11.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.82 1.191 . . . . 0.0 110.679 168.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -67.15 -35.45 79.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.348 -0.845 . . . . 0.0 111.565 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -60.22 -6.66 1.54 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 125.221 1.408 . . . . 0.0 114.614 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -76.92 -19.45 57.39 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.363 -1.461 . . . . 0.0 112.911 168.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.54 -8.64 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -179.17 163.48 31.05 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 119.519 1.054 . . . . 0.0 114.37 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -73.65 129.35 13.52 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.178 2.586 . . . . 0.0 111.169 -177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 134.64 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 125.756 1.622 . . . . 0.0 109.57 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -106.08 -28.06 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.827 1.651 . . . . 0.0 112.018 -171.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -164.13 163.5 23.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.673 1.989 . . . . 0.0 109.747 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -162.1 144.47 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.974 . . . . 0.0 107.942 -171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -150.23 87.81 1.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 122.047 0.927 . . . . 0.0 112.277 -169.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.5 mm -83.5 132.47 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 106.441 -1.688 . . . . 0.0 106.441 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.2 mm -86.35 106.36 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 121.113 -0.992 . . . . 0.0 109.73 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -86.46 60.66 6.36 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 111.16 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.11 164.78 12.37 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.023 0.929 . . . . 0.0 112.326 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -45.35 135.56 5.95 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.293 1.837 . . . . 0.0 113.183 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 80.09 -11.94 1.11 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.979 2.912 . . . . 0.0 114.403 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.29 -76.15 0.11 Allowed Glycine 0 N--CA 1.47 0.948 0 C-N-CA 124.351 0.977 . . . . 0.0 112.347 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 91.0 p -158.7 165.64 33.88 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.642 0.777 . . . . 0.0 111.12 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.38 -20.28 58.96 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.0 -1.063 . . . . 0.0 112.619 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.91 22.38 23.37 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 125.968 1.746 . . . . 0.0 112.255 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -156.57 172.02 19.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.788 2.035 . . . . 0.0 111.644 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.39 -175.22 37.81 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -134.1 163.84 28.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.774 2.03 . . . . 0.0 110.19 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.2 p -156.43 145.33 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.414 1.086 . . . . 0.0 111.488 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.3 m -125.19 115.49 20.51 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.683 1.593 . . . . 0.0 109.937 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 85.6 mtp -100.32 166.17 11.1 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.791 1.236 . . . . 0.0 111.328 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.37 -39.72 64.92 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -123.68 141.77 37.44 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.498 1.119 . . . . 0.0 112.07 -169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.86 -27.93 11.85 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.151 2.567 . . . . 0.0 113.806 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -76.69 -27.39 55.51 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.383 0.992 . . . . 0.0 112.835 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.38 -37.73 74.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.361 0.664 . . . . 0.0 111.132 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.6 -45.89 70.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.8 1.24 . . . . 0.0 110.746 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -60.01 -25.88 65.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -82.73 -40.49 20.49 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.741 0.816 . . . . 0.0 112.42 169.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.11 -48.65 80.83 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.824 0.85 . . . . 0.0 112.662 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -64.59 -17.34 63.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -86.0 -19.49 30.29 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.576 1.15 . . . . 0.0 113.758 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -104.95 -31.63 9.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.454 1.102 . . . . 0.0 113.567 -175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -102.3 17.54 23.21 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.852 1.261 . . . . 0.0 112.983 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -122.71 130.45 52.96 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.661 1.985 . . . . 0.0 110.832 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.07 87.63 Favored Glycine 0 N--CA 1.477 1.401 0 C-N-CA 123.805 0.717 . . . . 0.0 114.024 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.1 t -100.57 154.05 18.89 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.32 1.848 . . . . 0.0 110.69 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 91.7 m -100.9 125.8 47.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.621 1.168 . . . . 0.0 109.997 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 4.9 mt -141.69 135.45 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.673 1.589 . . . . 0.0 108.121 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 56.56 29.49 15.6 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.334 1.054 . . . . 0.0 112.271 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 80.44 10.31 85.48 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.809 1.671 . . . . 0.0 114.84 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -128.68 136.43 50.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.208 1.803 . . . . 0.0 110.226 -171.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -73.08 117.44 14.81 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.198 -0.939 . . . . 0.0 109.727 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.63 155.28 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.022 1.729 . . . . 0.0 109.394 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -135.07 144.18 47.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.622 1.169 . . . . 0.0 109.963 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 85.6 t -147.9 133.19 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 127.237 2.215 . . . . 0.0 108.14 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.17 165.5 22.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.844 0.857 . . . . 0.0 113.192 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 86.6 mt -56.45 158.94 3.98 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.066 1.346 . . . . 0.0 111.992 172.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.19 -165.04 2.11 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 13.7 t -165.74 142.46 5.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.577 1.951 . . . . 0.0 109.982 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -66.66 161.78 22.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.817 1.247 . . . . 0.0 112.168 173.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -71.01 22.79 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.1 m -155.12 155.56 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 128.737 2.815 . . . . 0.0 109.454 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -154.53 158.97 40.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -167.76 178.54 5.22 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.538 2.335 . . . . 0.0 110.829 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 154.89 37.0 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.632 1.173 . . . . 0.0 113.199 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.08 -32.67 63.35 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.04 0.936 . . . . 0.0 113.49 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . 63.71 5.21 2.13 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.595 2.358 . . . . 0.0 114.989 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -166.06 141.3 3.91 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 126.126 1.77 . . . . 0.0 110.853 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.75 155.8 35.85 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.466 2.777 . . . . 0.0 112.546 170.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 96.8 mt -132.52 151.05 52.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.257 1.423 . . . . 0.0 110.97 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 96.3 mtp -79.81 -13.16 59.62 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.157 0.983 . . . . 0.0 113.491 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 67.8 p -166.95 158.56 12.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.54 1.936 . . . . 0.0 111.103 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 126.516 1.926 . . . . 0.0 112.73 -176.701 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.9 p -84.97 -12.44 53.27 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 60.46 -17.13 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 130.427 3.491 . . . . 0.0 117.233 172.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -163.83 -44.37 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.246 1.418 . . . . 0.0 113.444 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.29 20.98 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.645 1.178 . . . . 0.0 112.616 -172.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.8 160.49 30.01 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.867 1.667 . . . . 0.0 111.539 -175.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.55 150.91 73.06 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.821 3.014 . . . . 0.0 112.715 173.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.45 -15.29 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . 0.254 35.1 m 50.44 29.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.623 2.369 . . . . 0.0 114.685 177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.7 -177.81 26.69 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.784 1.659 . . . . 0.0 113.145 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -163.18 166.15 23.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.759 1.223 . . . . 0.0 112.47 -175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -159.71 136.94 9.59 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.098 1.759 . . . . 0.0 109.781 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -156.66 137.32 13.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.184 1.393 . . . . 0.0 111.083 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 69.8 p -146.34 168.43 21.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.245 1.818 . . . . 0.0 110.721 -171.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 24.4 ptp -141.61 5.67 1.81 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -151.76 133.27 14.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.758 1.223 . . . . 0.0 111.896 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.3 t -57.56 -29.05 64.09 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.777 2.031 . . . . 0.0 112.678 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -43.86 148.67 0.36 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.14 2.176 . . . . 0.0 115.327 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 mt -140.14 121.17 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.58 1.952 . . . . 0.0 109.275 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.45 155.54 40.57 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.791 1.236 . . . . 0.0 110.722 171.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -151.51 94.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.737 0.815 . . . . 0.0 111.468 173.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.12 -179.41 25.72 Favored Glycine 0 CA--C 1.536 1.365 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 167.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.54 -153.38 16.83 Favored Glycine 0 N--CA 1.477 1.405 0 O-C-N 121.237 -1.154 . . . . 0.0 110.392 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.1 mt 73.24 145.33 0.11 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 126.501 1.921 . . . . 0.0 113.66 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.9 0.61 9.57 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.771 2.981 . . . . 0.0 114.289 -170.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.47 ' CZ ' " H1'" ' C' ' 7' ' ' ' G' . 5.0 t80 91.63 20.41 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 127.384 2.274 . . . . 0.0 112.789 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -154.38 5.55 0.27 Allowed 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.87 149.36 39.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.665 1.986 . . . . 0.0 113.998 -175.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 61.9 m -86.93 164.92 16.28 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.933 1.293 . . . . 0.0 113.556 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.23 -25.95 66.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -83.65 -19.64 35.04 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 93.0 m -54.3 -56.65 16.31 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.171 1.389 . . . . 0.0 111.829 -172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.99 -40.28 92.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.37 -36.83 78.95 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 122.72 0.408 . . . . 0.0 111.711 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -64.9 -33.76 76.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.673 1.189 . . . . 0.0 112.628 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.22 -41.94 39.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.239 -0.913 . . . . 0.0 112.571 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -80.41 -2.66 46.61 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -60.73 -17.15 46.75 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.245 1.818 . . . . 0.0 113.502 173.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -78.49 -11.61 59.96 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.48 -3.23 28.96 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -169.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.79 -146.12 17.89 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.821 1.676 . . . . 0.0 112.106 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.26 136.24 33.24 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.272 1.029 . . . . 0.0 109.754 173.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.09 134.05 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -60.5 2.25 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 171.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -160.47 143.37 13.28 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.747 2.019 . . . . 0.0 108.383 170.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.9 143.45 38.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.432 1.093 . . . . 0.0 110.137 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -148.12 158.94 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.141 1.376 . . . . 0.0 112.242 -168.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.53 131.29 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.024 1.33 . . . . 0.0 108.502 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.1 94.32 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.647 0.779 . . . . 0.0 109.74 -170.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -142.24 166.35 24.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.349 1.859 . . . . 0.0 110.205 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -47.54 123.84 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.584 1.153 . . . . 0.0 111.344 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 9.27 8.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -113.32 -31.0 6.72 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.644 1.577 . . . . 0.0 113.307 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -116.35 -19.97 9.93 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 66.08 28.99 10.18 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 128.053 2.541 . . . . 0.0 112.831 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -103.46 162.19 13.24 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.143 0.977 . . . . 0.0 112.975 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.406 ' HA ' ' CE2' ' B' ' 44' ' ' TYR 0.284 15.3 m 89.68 -140.62 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.7 2.4 . . . . 0.0 114.007 169.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -5.81 102.77 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 130.267 3.427 . . . . 0.0 116.279 -174.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.64 81.6 1.47 Allowed Glycine 0 N--CA 1.472 1.1 0 C-N-CA 124.668 1.128 . . . . 0.0 112.786 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -175.97 158.89 2.1 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.406 2.282 . . . . 0.0 112.742 170.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.09 -175.61 17.37 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.784 1.659 . . . . 0.0 113.167 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -138.29 146.55 42.59 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.829 1.651 . . . . 0.0 111.041 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -132.1 143.55 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.054 1.742 . . . . 0.0 108.509 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -139.49 138.87 36.75 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.22 1.408 . . . . 0.0 107.458 171.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 92.4 mmm -117.35 149.84 39.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.065 0.946 . . . . 0.0 112.102 -169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.55 -36.87 84.01 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.6 157.17 46.4 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.717 1.607 . . . . 0.0 111.913 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -66.59 -28.6 68.63 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.41 80.89 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.9 0.773 . . . . 0.0 112.164 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -75.58 -26.96 58.35 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.156 0.583 . . . . 0.0 112.022 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.65 61.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.775 0.83 . . . . 0.0 111.401 169.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -59.43 -36.34 75.71 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.545 0.738 . . . . 0.0 112.154 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -65.84 -44.16 86.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.735 0.814 . . . . 0.0 112.843 170.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.56 69.71 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.157 0.889 . . . . 0.0 111.999 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.54 11.84 16.12 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.696 1.599 . . . . 0.0 114.487 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.16 -53.3 59.6 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.163 0.892 . . . . 0.0 111.769 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -99.87 140.52 21.6 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 124.427 1.091 . . . . 0.0 110.619 169.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -89.56 -14.11 2.6 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.752 2.301 . . . . 0.0 114.336 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -150.68 56.8 2.24 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 125.724 1.61 . . . . 0.0 111.468 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -69.19 154.65 69.66 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.373 2.715 . . . . 0.0 111.187 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 mm -79.77 128.7 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 39.1 mt -136.33 119.61 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 20.9 t70 58.4 24.15 11.39 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.496 1.518 . . . . 0.0 113.787 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.48 5.51 72.03 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.249 1.404 . . . . 0.0 114.892 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -116.56 139.33 50.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.178 1.791 . . . . 0.0 110.113 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -69.15 118.3 11.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.422 -0.799 . . . . 0.0 111.585 171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 -171.48 2.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.714 1.606 . . . . 0.0 112.612 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -159.69 116.51 2.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.15 1.38 . . . . 0.0 109.529 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.49 142.88 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.095 1.358 . . . . 0.0 110.518 -168.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -173.07 153.83 2.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.723 2.009 . . . . 0.0 111.131 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.18 130.52 45.81 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.4 -12.28 59.94 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -167.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -54.63 -16.31 2.37 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.87 1.668 . . . . 0.0 115.414 -174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.5 -23.22 64.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.074 1.75 . . . . 0.0 113.159 172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.49 -7.09 0.16 Allowed Glycine 0 CA--C 1.537 1.435 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -39.74 139.36 0.63 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.908 2.558 . . . . 0.0 117.908 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -48.92 130.61 14.9 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 126.865 2.066 . . . . 0.0 111.184 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.19 164.14 29.04 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.526 3.484 . . . . 0.0 114.003 -169.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -64.55 156.31 30.23 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.23 1.412 . . . . 0.0 112.835 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 73.0 p -84.7 -154.04 0.17 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.021 2.129 . . . . 0.0 111.538 -173.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -67.2 -7.31 22.82 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.29 1.436 . . . . 0.0 113.96 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.69 128.16 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.292 1.437 . . . . 0.0 109.494 170.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -140.32 14.85 2.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.274 1.03 . . . . 0.0 113.198 -168.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 85.1 mt -82.61 -0.38 46.75 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.732 1.213 . . . . 0.0 113.499 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.724 2.41 . . . . 0.0 111.227 -178.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.536 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 O4'-C1'-N19 111.986 3.786 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 O5'-C5'-C4' 114.018 2.727 . 0.261 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.546 1.992 1 O4'-C1'-N19 112.733 4.533 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.461 3.29 . 0.147 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 1 O4'-C1'-N19 112.752 4.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 O4'-C1'-N19 113.902 5.702 . 0.322 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.47 " H1'" ' CZ ' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 O4'-C1'-N19 115.865 7.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.927 1 O4'-C1'-N19 115.145 6.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C5'-C4'-C3' 111.853 -2.431 . 0.18 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C5'-C4'-C3' 108.699 -4.534 . 0.227 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.616 3.416 . 0.212 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 O4'-C1'-N19 111.237 3.037 . 0.218 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -169.64 163.92 10.14 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.887 1.675 . . . . 0.0 111.689 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.18 -179.56 48.87 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.631 1.11 . . . . 0.0 113.638 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.5 137.01 48.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.653 2.902 . . . . 0.0 110.625 176.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -91.58 2.49 56.42 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.064 0.946 . . . . 0.0 113.273 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -93.21 140.18 29.8 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.408 2.283 . . . . 0.0 109.323 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.39 158.84 43.46 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.538 1.935 . . . . 0.0 109.907 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -131.13 138.92 49.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.119 2.168 . . . . 0.0 110.051 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.59 113.56 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.982 1.313 . . . . 0.0 107.842 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.2 p -104.7 26.09 9.54 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -159.49 37.74 0.2 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.368 1.067 . . . . 0.0 113.627 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.57 153.1 89.7 Favored Pre-proline 0 CA--C 1.551 0.985 0 O-C-N 120.695 -1.253 . . . . 0.0 111.807 177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -50.12 160.51 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.414 3.409 . . . . 0.0 113.851 169.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.489 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 0.0 OUTLIER -57.22 -15.78 6.67 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -177.071 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -146.94 149.07 32.47 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.327 1.451 . . . . 0.0 111.033 170.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.47 175.8 13.15 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.181 0.992 . . . . 0.0 112.212 -171.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.45 144.3 37.96 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.204 1.402 . . . . 0.0 111.001 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.05 -44.03 76.53 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.676 1.19 . . . . 0.0 113.817 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -64.51 -28.68 61.85 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.53 2.153 . . . . 0.0 113.152 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.25 -33.22 43.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.92 0.782 . . . . 0.0 112.244 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.18 -21.28 58.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.783 -0.573 . . . . 0.0 111.982 169.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -67.91 -51.49 47.19 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 169.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.09 70.77 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 40.7 mmm -53.77 -34.48 59.18 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.57 -20.45 13.36 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.831 0.852 . . . . 0.0 113.202 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.8 -26.95 26.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.288 0.949 . . . . 0.0 113.524 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -69.26 -3.58 14.41 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 155' ' ' ALA . 30.4 m -127.53 6.49 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.107 1.363 . . . . 0.0 113.892 173.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.5 178.44 15.64 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.32 0.962 . . . . 0.0 114.713 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -59.21 135.82 68.38 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 124.43 3.42 . . . . 0.0 114.164 -173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.63 134.32 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.066 1.746 . . . . 0.0 108.389 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.34 -27.98 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.083 1.353 . . . . 0.0 112.506 -169.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -160.83 168.11 25.36 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.586 1.555 . . . . 0.0 110.302 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.69 146.65 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.916 2.086 . . . . 0.0 108.445 -174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -159.55 122.67 3.6 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.954 0.797 . . . . 0.0 112.311 -170.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.3 130.45 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.216 1.006 . . . . 0.0 109.761 175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.1 mm -97.55 153.17 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.0 0.92 . . . . 0.0 110.351 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -135.96 161.62 35.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.125 1.37 . . . . 0.0 110.126 -175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -156.86 -57.0 0.08 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 111.902 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -149.15 134.3 18.22 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.102 1.361 . . . . 0.0 109.925 -178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 62.89 -84.28 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.46 2.304 . . . . 0.0 112.7 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.63 -150.98 25.03 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.903 1.716 . . . . 0.0 112.185 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 87.8 p -69.26 173.21 5.94 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 122.139 -0.624 . . . . 0.0 111.605 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -70.25 8.29 0.81 Allowed 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.188 -1.57 . . . . 0.0 112.866 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.61 20.52 78.55 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.212 1.387 . . . . 0.0 113.183 -173.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -153.99 164.72 37.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.613 1.207 . . . . 0.0 113.264 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.56 166.98 31.93 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.63 1.109 . . . . 0.0 114.205 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -108.98 165.0 11.91 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.401 1.88 . . . . 0.0 111.009 172.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.11 152.03 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.203 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -126.98 133.41 50.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.868 1.267 . . . . 0.0 109.801 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.1 mmm -109.85 160.33 16.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.275 1.43 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -70.96 -22.75 62.17 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -146.15 153.82 49.41 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.873 2.069 . . . . 0.0 110.568 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.36 -28.02 27.68 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.637 2.225 . . . . 0.0 111.99 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -73.12 -34.96 66.44 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.378 0.99 . . . . 0.0 112.755 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -68.45 -10.0 52.47 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.851 0.861 . . . . 0.0 112.437 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.55 -11.96 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.345 1.458 . . . . 0.0 113.206 172.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -83.23 -32.41 26.49 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.806 0.842 . . . . 0.0 111.245 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.8 mtm105 -74.89 -26.82 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.734 173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.543 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -69.96 -55.66 9.05 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.665 0.786 . . . . 0.0 110.195 168.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -58.01 -41.88 84.04 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.98 -15.36 62.17 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -98.02 -61.3 1.4 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.805 1.242 . . . . 0.0 110.091 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.22 -16.54 60.96 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -169.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -92.37 115.1 27.79 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.228 1.377 . . . . 0.0 111.336 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.47 11.25 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 123.495 0.569 . . . . 0.0 113.462 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.7 t -133.09 171.15 14.37 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.533 1.533 . . . . 0.0 111.374 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 39.3 m -130.88 140.14 50.19 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 128.114 2.566 . . . . 0.0 107.09 172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 32.8 mt -126.75 -58.37 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.386 0.675 . . . . 0.0 110.51 -172.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -148.41 89.72 1.74 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.536 1.16 . . . . 0.0 111.502 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 74.29 6.15 74.25 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.428 1.49 . . . . 0.0 115.75 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -157.9 152.31 24.7 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.516 1.526 . . . . 0.0 111.734 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.06 162.15 29.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.885 0.474 . . . . 0.0 111.055 169.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 20.8 t -133.15 142.8 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.117 1.767 . . . . 0.0 108.523 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.55 132.72 21.68 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.088 1.755 . . . . 0.0 108.381 -173.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 76.9 t -149.45 129.76 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.427 1.491 . . . . 0.0 109.664 -169.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -146.24 155.18 42.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.115 0.966 . . . . 0.0 112.144 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.1 142.8 41.1 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.463 0.705 . . . . 0.0 110.223 169.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.73 156.24 16.94 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 66.6 m -72.94 95.47 1.98 Allowed 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 125.934 1.694 . . . . 0.0 107.857 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -60.03 141.55 55.5 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 172.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -77.49 39.27 0.26 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -167.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 16.0 m -149.8 142.76 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.455 2.302 . . . . 0.0 110.362 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -92.67 -10.23 38.01 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -163.68 144.72 8.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.989 1.716 . . . . 0.0 110.717 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -162.75 165.75 25.14 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.728 1.611 . . . . 0.0 112.726 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -157.85 149.58 21.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.68 1.592 . . . . 0.0 112.153 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -166.0 162.86 18.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.084 1.753 . . . . 0.0 111.516 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -156.7 131.19 5.07 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.396 1.478 . . . . 0.0 110.813 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -73.95 140.39 28.56 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.015 2.477 . . . . 0.0 111.065 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.6 tp -162.07 124.86 2.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.196 1.398 . . . . 0.0 110.047 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 94.1 mmm -105.77 -3.39 22.09 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.413 1.085 . . . . 0.0 113.807 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 15.2 m -78.73 -9.91 59.58 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.486 1.367 0 C-N-CA 128.681 2.792 . . . . 0.0 112.288 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -166.38 -39.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.3 p -144.53 170.6 15.75 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.534 1.934 . . . . 0.0 111.163 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -152.92 156.75 39.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.422 1.489 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.49 23.25 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.316 1.846 . . . . 0.0 109.934 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.08 147.86 12.96 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.519 1.128 . . . . 0.0 111.4 -169.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.03 75.12 4.72 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.843 3.029 . . . . 0.0 111.093 -173.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.39 117.32 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.628 1.571 . . . . 0.0 108.965 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.7 m -151.04 156.84 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.738 2.015 . . . . 0.0 110.333 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.9 10.43 84.06 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.046 0.831 . . . . 0.0 114.348 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.2 p -80.77 0.71 33.54 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.889 1.676 . . . . 0.0 114.34 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -154.03 145.31 22.96 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.298 1.839 . . . . 0.0 110.808 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -154.0 135.26 14.07 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.207 1.803 . . . . 0.0 110.401 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -74.86 -26.44 59.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.858 1.263 . . . . 0.0 112.643 176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.6 ttt 69.35 -31.39 0.21 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.745 2.818 . . . . 0.0 114.77 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -148.31 -174.45 4.59 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.552 2.341 . . . . 0.0 110.008 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 68.7 p -105.59 7.48 32.84 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.497 1.519 . . . . 0.0 112.724 171.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -79.86 129.05 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.188 1.395 . . . . 0.0 113.463 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.6 mt -140.41 117.0 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.942 2.097 . . . . 0.0 109.6 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -71.11 148.21 47.67 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.149 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.32 143.25 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.331 0.652 . . . . 0.0 111.047 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.08 -129.12 5.35 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.715 1.626 . . . . 0.0 111.63 171.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.81 -173.31 55.06 Favored Glycine 0 N--CA 1.475 1.248 0 N-CA-C 116.986 1.554 . . . . 0.0 116.986 167.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 mt 72.5 153.41 0.15 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 128.29 2.636 . . . . 0.0 113.595 172.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -56.83 -10.64 5.79 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.555 3.503 . . . . 0.0 116.534 170.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 98.2 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 129.567 3.147 . . . . 0.0 112.697 169.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -82.02 6.88 14.75 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.306 1.842 . . . . 0.0 114.613 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -72.88 175.13 6.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.124 2.969 . . . . 0.0 113.372 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -117.47 175.39 5.65 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.659 1.184 . . . . 0.0 113.401 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.17 -24.49 66.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.494 1.118 . . . . 0.0 113.935 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -82.11 -26.64 33.39 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -63.28 -36.39 83.51 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 120.156 1.344 . . . . 0.0 112.691 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.09 -50.73 21.23 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.623 0.769 . . . . 0.0 111.605 171.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -56.74 -44.95 82.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.752 0.821 . . . . 0.0 112.03 -175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -63.33 -25.63 68.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 0.0 113.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -78.15 -47.3 18.46 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.13 0.877 . . . . 0.0 111.973 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -74.28 -13.42 60.76 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -58.78 -18.87 35.75 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.334 1.454 . . . . 0.0 113.394 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -70.93 -19.86 62.53 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -92.74 -7.73 45.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -172.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.23 178.56 15.89 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.289 1.899 . . . . 0.0 112.318 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.83 131.85 52.18 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -91.0 133.34 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.332 1.453 . . . . 0.0 110.238 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -93.49 -36.45 12.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.861 1.664 . . . . 0.0 111.673 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -167.56 100.71 0.49 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.998 1.719 . . . . 0.0 109.57 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.83 131.81 52.36 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.412 0.685 . . . . 0.0 109.956 170.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -154.83 159.17 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.849 1.26 . . . . 0.0 111.791 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -118.78 118.96 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.697 1.599 . . . . 0.0 106.784 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.49 HD12 " H1'" ' C' ' 11' ' ' ' G' . 24.4 mm -46.61 -91.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 127.019 2.127 . . . . 0.0 114.489 -167.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.317 25.0 p 84.58 -113.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.07 2.548 . . . . 0.0 110.26 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -166.04 136.63 3.53 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.172 1.789 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -58.45 -29.98 66.59 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -107.84 -36.9 6.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.845 1.258 . . . . 0.0 113.45 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.3 p -109.74 -21.89 12.18 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 60.3 25.12 14.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.431 1.892 . . . . 0.0 113.82 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.47 153.38 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.16 140.84 0.54 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.255 2.622 . . . . 0.0 116.006 -174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -152.37 126.85 9.36 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.748 0.819 . . . . 0.0 113.146 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.94 13.45 25.01 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.746 1.641 . . . . 0.0 116.271 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -148.4 158.04 43.85 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.835 1.817 . . . . 0.0 113.097 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -156.78 -161.61 10.89 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 125.619 1.581 . . . . 0.0 113.323 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -138.88 147.67 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 126.293 1.837 . . . . 0.0 109.626 -172.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.33 146.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.539 1.936 . . . . 0.0 108.402 174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -151.9 133.61 14.78 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 125.639 1.576 . . . . 0.0 107.382 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.8 mmm -112.25 150.68 30.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.411 0.684 . . . . 0.0 112.145 -170.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -64.01 -33.08 74.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.337 1.055 . . . . 0.0 113.716 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -139.84 156.05 46.92 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 123.206 1.479 . . . . 0.0 113.903 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -42.38 -40.29 2.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.757 2.823 . . . . 0.0 113.064 169.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.48 79.2 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.466 1.03 . . . . 0.0 111.709 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -64.37 -34.66 78.68 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.773 0.829 . . . . 0.0 111.484 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -24.74 63.85 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.54 -39.75 64.49 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.669 1.122 . . . . 0.0 110.557 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.09 -39.1 91.31 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.948 -0.47 . . . . 0.0 112.016 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.84 5.99 2.27 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 92.9 m -119.05 12.03 12.62 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.42 1.888 . . . . 0.0 112.587 172.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -56.17 -34.26 66.03 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.454 1.502 . . . . 0.0 114.196 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -139.92 147.03 49.41 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 126.331 1.852 . . . . 0.0 111.06 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -82.78 -17.51 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.988 3.126 . . . . 0.0 112.531 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -144.8 82.1 10.39 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.129 1.372 . . . . 0.0 111.311 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -94.1 145.04 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.906 3.071 . . . . 0.0 113.281 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 29.9 mm -60.49 124.4 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.557 1.143 . . . . 0.0 110.176 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 mt -135.33 118.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.198 0.999 . . . . 0.0 108.869 175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.4 t0 58.19 31.11 20.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.737 1.615 . . . . 0.0 113.445 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.37 3.81 61.25 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.394 1.473 . . . . 0.0 115.562 174.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -139.2 137.18 35.78 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.572 1.549 . . . . 0.0 110.447 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -78.2 136.31 37.78 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.983 -1.073 . . . . 0.0 112.718 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.82 -167.41 1.52 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.864 1.666 . . . . 0.0 111.999 -176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -142.72 146.37 34.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.282 1.833 . . . . 0.0 108.276 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.99 140.75 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.587 1.555 . . . . 0.0 109.266 -169.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.72 157.67 12.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.613 1.565 . . . . 0.0 111.611 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.68 127.55 32.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 109.591 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.49 -13.31 60.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -1.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -173.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 64.8 mt -67.03 -23.76 65.93 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.581 1.553 . . . . 0.0 111.864 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.34 0.11 0.08 OUTLIER Glycine 0 CA--C 1.538 1.523 0 N-CA-C 117.078 1.591 . . . . 0.0 117.078 176.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.05 143.78 21.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -72.8 134.2 81.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 111.834 175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -59.31 157.1 32.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.952 3.101 . . . . 0.0 113.236 173.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.05 155.34 40.53 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.235 1.014 . . . . 0.0 113.082 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 6.0 t -82.21 176.13 9.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.503 1.521 . . . . 0.0 110.668 169.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 49.6 t30 67.02 -30.5 0.16 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.388 2.675 . . . . 0.0 115.418 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.31 133.44 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.097 2.159 . . . . 0.0 108.922 174.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -152.19 18.92 0.66 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.839 0.856 . . . . 0.0 112.608 -169.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 56.4 tp -156.88 140.31 15.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.51 1.524 . . . . 0.0 110.507 -174.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.266 1.826 . . . . 0.0 112.012 -178.344 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.489 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 N19-C1'-C2' 118.527 3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 0 C5'-C4'-C3' 110.691 -3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 O4'-C1'-N19 112.582 4.382 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 110.543 -3.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C4'-C3' 109.189 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 1 O4'-C1'-N19 114.245 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 1 O4'-C1'-N19 113.508 5.308 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.411 1 O4'-C1'-N19 112.903 4.703 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C3'-C2'-C1' 105.181 4.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 1 O4'-C1'-N19 112.846 4.646 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.49 " H1'" HD12 ' B' ' 67' ' ' ILE . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 O4'-C1'-N19 113.67 5.47 . 0.054 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 C5'-C4'-C3' 111.649 -2.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.21 123.11 25.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.411 1.085 . . . . 0.0 111.565 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.3 -167.37 39.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.072 1.32 . . . . 0.0 114.795 -173.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.03 -36.79 1.8 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.437 2.758 . . . . 0.0 112.545 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 43.23 52.42 5.61 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.341 1.856 . . . . 0.0 114.284 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -144.37 157.39 44.28 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.0 mt -122.31 170.49 9.87 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.516 2.326 . . . . 0.0 110.372 -176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -132.32 149.87 52.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.632 2.773 . . . . 0.0 109.6 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.16 124.49 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.282 1.433 . . . . 0.0 109.071 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.7 p -112.53 36.42 3.43 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -166.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -155.94 6.75 0.21 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -170.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.3 mt -62.44 136.2 95.73 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.407 1.483 . . . . 0.0 112.216 -169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.88 155.82 68.3 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.32 2.013 . . . . 0.0 112.069 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 3.2 m-30 -53.25 -27.47 22.51 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -122.02 25.6 9.0 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 125.754 1.622 . . . . 0.0 113.148 -170.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -70.15 175.35 4.61 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -169.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -153.45 155.73 36.86 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.842 2.057 . . . . 0.0 110.437 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -77.68 -28.51 0.63 Allowed Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.31 -25.2 76.38 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.735 2.29 . . . . 0.0 113.214 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.39 -19.33 42.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.574 1.149 . . . . 0.0 112.692 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.8 tp -91.79 -45.24 8.51 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.952 1.301 . . . . 0.0 111.197 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.7 m -55.38 -40.97 72.0 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.291 1.836 . . . . 0.0 111.408 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.56 -17.07 64.61 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 80.1 mtp -68.37 -49.71 58.29 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.745 1.157 . . . . 0.0 110.763 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 -31.88 36.17 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.299 1.04 . . . . 0.0 112.515 -172.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.52 -15.71 4.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.953 1.301 . . . . 0.0 113.979 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -72.15 -14.82 61.92 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.725 -1.234 . . . . 0.0 114.23 173.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.07 -22.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -164.4 158.04 30.58 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 119.791 1.178 . . . . 0.0 113.586 173.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.05 127.4 14.31 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.743 2.295 . . . . 0.0 110.812 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.7 139.51 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.19 1.796 . . . . 0.0 109.692 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.61 -33.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.037 1.335 . . . . 0.0 112.278 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -154.81 166.07 34.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.054 1.342 . . . . 0.0 110.73 171.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.75 137.16 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 126.396 1.878 . . . . 0.0 109.225 -169.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.83 124.3 23.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.185 0.994 . . . . 0.0 112.531 -169.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.21 126.35 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 166.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.1 mm -98.48 141.38 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -111.55 158.39 19.26 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -169.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -136.67 172.86 12.39 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.577 2.351 . . . . 0.0 110.773 -168.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.5 -15.24 16.49 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -145.45 106.23 4.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.565 1.546 . . . . 0.0 110.01 169.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.66 -151.69 51.76 Favored Glycine 0 N--CA 1.474 1.184 0 C-N-CA 125.041 1.305 . . . . 0.0 113.767 178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.2 p -79.4 166.47 22.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.042 -0.681 . . . . 0.0 112.738 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.25 2.33 7.62 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.662 -1.274 . . . . 0.0 112.268 168.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.37 10.2 86.2 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 125.942 1.734 . . . . 0.0 114.777 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -151.98 164.39 37.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.436 1.618 . . . . 0.0 112.831 -176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.08 176.93 37.63 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 115.986 1.154 . . . . 0.0 115.986 -175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.22 164.23 24.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.913 2.085 . . . . 0.0 110.799 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.68 127.82 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.667 0.787 . . . . 0.0 112.449 -175.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 90.6 m -102.81 138.5 39.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.498 1.919 . . . . 0.0 110.682 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 94.4 mtp -124.08 165.17 17.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.218 1.407 . . . . 0.0 110.866 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -67.69 -26.95 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.464 -0.773 . . . . 0.0 113.013 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -145.99 134.27 10.76 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.991 1.316 . . . . 0.0 110.462 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.57 -30.09 15.38 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.857 2.371 . . . . 0.0 112.688 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.51 -18.19 61.67 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.089 0.956 . . . . 0.0 113.203 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -95.21 -11.91 27.24 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.272 1.429 . . . . 0.0 112.46 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -83.55 -48.49 10.2 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.323 1.049 . . . . 0.0 110.434 169.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -51.69 -27.72 12.59 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.7 mtm-85 -69.18 -39.57 78.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.278 -0.889 . . . . 0.0 112.582 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.36 79.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.382 0.992 . . . . 0.0 111.939 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -58.11 -43.96 87.42 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.548 0.739 . . . . 0.0 111.928 172.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.84 72.37 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.57 -32.49 28.49 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.22 13.5 24.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.343 1.057 . . . . 0.0 113.234 -174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -103.37 130.66 50.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.74 0.816 . . . . 0.0 112.106 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.09 18.29 65.29 Favored Glycine 0 N--CA 1.474 1.176 0 C-N-CA 124.304 0.954 . . . . 0.0 114.313 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -113.68 174.41 5.94 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.792 1.637 . . . . 0.0 111.642 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 51.8 m -141.56 134.93 29.57 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 127.928 2.491 . . . . 0.0 107.332 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.6 mt -132.69 -88.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.89 0.476 . . . . 0.0 111.586 -169.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -98.86 70.59 1.86 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.333 1.053 . . . . 0.0 110.607 -174.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.05 9.49 63.45 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.558 1.075 . . . . 0.0 114.626 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -146.17 147.82 31.89 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.802 2.041 . . . . 0.0 110.959 -174.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -62.06 158.91 15.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.943 1.297 . . . . 0.0 110.593 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 18.3 t -136.67 131.28 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.444 1.498 . . . . 0.0 108.787 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -146.09 139.78 26.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.433 1.493 . . . . 0.0 109.115 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 46.3 t -146.97 139.41 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.655 1.582 . . . . 0.0 109.613 -167.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -154.5 174.6 14.7 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.41 1.084 . . . . 0.0 111.502 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.89 148.89 33.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.512 1.125 . . . . 0.0 111.236 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.96 160.93 29.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.716 0.406 . . . . 0.0 111.292 169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 6.2 t -152.74 -178.17 6.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.525 1.13 . . . . 0.0 111.701 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.41 163.28 4.11 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.885 1.274 . . . . 0.0 112.409 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -72.83 148.26 44.65 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.906 -0.496 . . . . 0.0 111.125 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 17.0 m -151.76 165.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.435 1.894 . . . . 0.0 111.258 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.79 119.03 10.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.769 -0.582 . . . . 0.0 109.987 168.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -58.48 132.66 54.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.789 0.836 . . . . 0.0 111.753 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -81.78 88.92 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -169.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.44 -15.41 62.59 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -151.52 -32.73 0.15 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -52.27 -31.49 6.86 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.54 2.052 . . . . 0.0 116.54 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.84 -24.88 60.76 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.219 2.613 . . . . 0.0 114.78 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 58.2 tp -163.61 106.74 0.98 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.98 1.312 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.2 164.74 27.61 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 111.842 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.1 m -139.56 6.72 2.3 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -170.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.66 1.984 . . . . 0.0 113.104 -172.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 27.5 m -123.57 10.11 9.07 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.2 m -159.96 141.16 12.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.579 2.351 . . . . 0.0 108.343 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -156.59 145.32 20.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.65 1.18 . . . . 0.0 112.148 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -156.73 136.73 12.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.721 2.008 . . . . 0.0 109.205 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -143.36 145.49 32.26 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.565 1.146 . . . . 0.0 111.379 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -79.1 167.9 21.2 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.03 3.153 . . . . 0.0 112.381 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.88 135.49 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.695 1.598 . . . . 0.0 109.725 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -164.94 149.33 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.318 1.447 . . . . 0.0 110.719 -171.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.85 -155.36 14.89 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.859 1.219 . . . . 0.0 113.298 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -158.48 159.55 35.77 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.953 1.701 . . . . 0.0 111.447 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -121.28 140.1 52.52 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.053 1.341 . . . . 0.0 111.405 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -162.08 138.81 8.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.811 2.045 . . . . 0.0 108.824 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 54.9 m -130.87 131.98 44.88 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.341 1.456 . . . . 0.0 109.479 -171.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.78 99.76 6.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.369 0.668 . . . . 0.0 110.104 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.89 -79.67 0.44 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.057 1.343 . . . . 0.0 108.192 168.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -143.24 106.76 4.6 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 129.54 3.136 . . . . 0.0 103.375 -172.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -123.99 140.67 52.75 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -165.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.6 mt -139.14 122.79 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 126.333 1.853 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -88.18 120.83 29.91 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.91 1.684 . . . . 0.0 109.434 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -114.16 96.54 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.083 0.953 . . . . 0.0 110.559 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.12 56.41 3.18 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.71 -142.78 10.06 Favored Glycine 0 N--CA 1.472 1.1 0 CA-C-N 119.114 1.457 . . . . 0.0 110.675 172.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt 76.61 113.62 0.03 OUTLIER Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.717 2.007 . . . . 0.0 113.969 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -79.02 30.76 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.878 1 C-N-CA 125.584 4.189 . . . . 0.0 113.679 -171.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.479 ' CE1' " H1'" ' C' ' 7' ' ' ' G' . 2.5 t80 74.7 -25.62 0.2 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.651 1.981 . . . . 0.0 114.873 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -91.06 -10.82 40.72 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -70.28 166.19 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.725 2.01 . . . . 0.0 114.206 -173.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -120.07 179.82 4.15 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.225 1.41 . . . . 0.0 112.044 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.45 -21.88 66.79 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -90.54 -17.84 26.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.35 38.27 0.42 Allowed 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.073 1.749 . . . . 0.0 113.684 -169.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -143.56 -51.05 0.33 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 128.811 2.844 . . . . 0.0 108.386 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -50.97 -38.63 52.05 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.19 1.396 . . . . 0.0 112.331 174.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.14 -28.16 38.13 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.48 1.912 . . . . 0.0 114.158 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -87.36 -49.03 7.51 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.344 -0.847 . . . . 0.0 111.852 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.13 -16.14 57.11 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -5.91 32.18 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.79 -7.82 59.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.818 1.247 . . . . 0.0 112.381 176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -102.52 -15.03 16.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.15 1.38 . . . . 0.0 113.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.41 -141.01 7.2 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 125.296 1.427 . . . . 0.0 112.203 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.27 137.99 38.89 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.714 1.205 . . . . 0.0 110.178 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -96.24 132.36 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 176.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.52 -54.64 13.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.455 0.702 . . . . 0.0 109.197 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -162.16 146.54 12.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.552 1.541 . . . . 0.0 109.624 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.65 139.83 29.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.223 1.009 . . . . 0.0 111.197 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.78 155.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.636 1.175 . . . . 0.0 112.591 -169.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.83 136.49 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.574 1.55 . . . . 0.0 109.322 174.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.8 mm -93.14 121.42 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.181 0.993 . . . . 0.0 109.752 -176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -122.45 166.65 14.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.668 1.587 . . . . 0.0 113.897 -167.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -85.52 128.74 34.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.866 1.666 . . . . 0.0 111.19 169.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -72.63 -16.85 61.71 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.17 -23.56 14.03 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.272 1.029 . . . . 0.0 113.524 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 61.1 p -127.34 -12.46 5.65 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.627 1.571 . . . . 0.0 114.082 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 69.07 8.42 6.83 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.143 2.177 . . . . 0.0 113.471 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -66.95 149.22 50.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.84 1.256 . . . . 0.0 111.07 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -74.33 140.71 45.04 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.197 -0.939 . . . . 0.0 110.744 171.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -76.26 1.5 15.83 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.683 1.193 . . . . 0.0 112.232 171.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.23 44.79 7.85 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 126.457 1.98 . . . . 0.0 112.407 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -170.11 145.99 2.93 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.516 1.526 . . . . 0.0 112.86 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.69 166.36 21.9 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.69 1.614 . . . . 0.0 113.13 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -128.33 133.91 48.78 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.509 1.524 . . . . 0.0 109.191 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 56.9 t -127.45 138.22 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.707 1.203 . . . . 0.0 108.989 -174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -125.73 125.03 42.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.49 1.516 . . . . 0.0 107.601 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.2 mmm -101.53 146.18 28.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.648 0.658 . . . . 0.0 111.53 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -67.76 -35.44 78.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -136.21 160.27 39.18 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.185 1.794 . . . . 0.0 111.753 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -60.1 -38.97 84.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.393 1.077 . . . . 0.0 112.904 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.45 89.08 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.61 0.764 . . . . 0.0 111.922 -174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -65.24 -28.08 69.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.602 1.161 . . . . 0.0 112.811 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.09 23.54 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.277 1.031 . . . . 0.0 112.331 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.04 -32.87 71.31 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.399 0.68 . . . . 0.0 112.011 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.63 -45.6 58.22 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.69 -33.54 68.48 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.801 0.728 . . . . 0.0 112.931 172.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 75.0 m -85.5 13.01 7.36 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.436 1.494 . . . . 0.0 114.011 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.3 -43.85 93.47 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.388 -0.82 . . . . 0.0 111.539 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.39 135.23 20.31 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 125.354 1.461 . . . . 0.0 111.324 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -89.95 -10.83 3.38 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.952 3.101 . . . . 0.0 113.307 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -149.95 55.7 1.97 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 126.071 1.748 . . . . 0.0 111.044 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.21 156.57 64.38 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.47 2.78 . . . . 0.0 111.794 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mm -85.96 127.2 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.268 0.627 . . . . 0.0 109.534 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.09 111.45 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.071 1.348 . . . . 0.0 107.984 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 55.08 28.61 11.12 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.349 1.859 . . . . 0.0 113.491 -172.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 -14.14 65.92 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.907 1.718 . . . . 0.0 114.229 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -85.17 130.43 34.61 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.806 1.303 . . . . 0.0 110.839 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -71.48 114.89 10.02 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.343 -0.848 . . . . 0.0 109.943 168.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.15 -168.16 1.72 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.95 1.3 . . . . 0.0 112.521 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -154.93 118.09 4.43 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.066 1.746 . . . . 0.0 108.082 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.78 138.36 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.018 1.327 . . . . 0.0 109.932 -169.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -169.8 159.84 8.25 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.896 2.078 . . . . 0.0 110.878 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.51 130.67 44.6 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 169.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.6 101.23 1.59 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.896 0.878 . . . . 0.0 111.663 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -155.39 -9.84 0.12 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 43.7 mt -81.79 93.79 6.9 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.306 1.443 . . . . 0.0 109.558 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 31.71 81.78 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 123.744 0.688 . . . . 0.0 112.931 -175.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.36 166.8 19.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.6 131.36 6.44 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 126.699 2.0 . . . . 0.0 112.941 175.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.74 149.73 90.12 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.697 2.932 . . . . 0.0 111.089 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -57.24 113.92 1.95 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.335 1.054 . . . . 0.0 113.464 -169.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 p -96.93 -35.6 10.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.334 1.854 . . . . 0.0 111.55 169.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -176.34 157.68 1.75 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 128.706 2.802 . . . . 0.0 110.055 169.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 63.6 t -142.84 131.49 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.664 1.586 . . . . 0.0 108.673 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -81.99 -36.22 28.11 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 tt -159.09 -70.92 0.08 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.888 1.275 . . . . 0.0 110.1 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 127.095 2.158 . . . . 0.0 111.39 -177.674 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.409 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 N19-C1'-C2' 118.025 2.891 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O5'-C5'-C4' 113.304 2.217 . 0.01 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 1 O4'-C1'-N19 113.183 4.983 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C4'-C3' 108.953 2.467 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 O4'-C1'-N19 112.449 4.249 . 0.137 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 1 O4'-C1'-N19 112.783 4.583 . 0.199 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.479 " H1'" ' CE1' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.426 -2.263 1 O4'-C1'-N19 114.939 6.739 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 2 O4'-C1'-N19 114.092 5.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.774 3.574 . 0.555 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.351 1 C5'-C4'-C3' 107.771 -5.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 112.076 3.876 . 0.183 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 C5'-C4'-C3' 111.568 -2.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.511 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.42 4.82 22.84 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.481 1.512 . . . . 0.0 113.308 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.09 -139.99 11.04 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.745 1.641 . . . . 0.0 111.551 172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.75 152.01 37.12 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.966 3.11 . . . . 0.0 112.9 169.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -139.41 136.47 34.72 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.136 1.374 . . . . 0.0 110.628 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -103.37 133.88 47.68 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.166 0.986 . . . . 0.0 110.758 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.0 mt -115.74 165.54 12.94 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.06 2.544 . . . . 0.0 110.276 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -137.08 148.74 46.94 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.979 2.112 . . . . 0.0 110.306 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.51 122.45 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.776 1.231 . . . . 0.0 110.215 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.5 p -111.03 27.72 9.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.464 1.505 . . . . 0.0 114.753 -169.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.81 28.83 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.954 1.302 . . . . 0.0 113.457 177.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.62 138.91 76.49 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 125.259 1.424 . . . . 0.0 111.233 172.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.02 155.87 64.03 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.358 2.039 . . . . 0.0 111.432 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 7.2 m-30 -61.0 153.66 24.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.63 0.772 . . . . 0.0 112.793 172.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.329 0.0 OUTLIER 54.32 11.12 0.37 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 128.856 2.863 . . . . 0.0 116.263 -174.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -75.02 127.15 32.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.595 1.558 . . . . 0.0 112.022 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -102.66 169.9 8.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.478 1.111 . . . . 0.0 112.831 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.87 -34.51 5.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 117.339 -1.315 . . . . 0.0 114.085 -173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.85 -37.31 35.44 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.702 2.268 . . . . 0.0 112.021 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.08 -42.17 69.71 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.762 0.825 . . . . 0.0 111.83 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.0 tp -65.91 -36.0 82.18 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.458 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 93.2 m -59.1 -52.27 66.44 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.519 0.728 . . . . 0.0 109.727 172.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.6 80.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.178 0.591 . . . . 0.0 112.224 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 5.1 ttp -55.29 -36.57 66.29 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.3 -27.13 17.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.074 0.95 . . . . 0.0 112.823 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -55.94 -30.29 61.45 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.508 1.049 . . . . 0.0 112.411 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -57.89 -13.6 4.71 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.4 m -131.24 13.5 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.407 1.483 . . . . 0.0 113.773 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 136.43 -166.47 24.75 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 170.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.07 129.59 13.38 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.846 3.031 . . . . 0.0 112.782 -169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -113.83 135.99 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.083 1.753 . . . . 0.0 109.144 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.7 t -114.22 -32.66 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 125.989 1.715 . . . . 0.0 112.227 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -156.56 165.25 36.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 110.399 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.2 p -162.45 143.67 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 126.369 1.868 . . . . 0.0 108.273 -170.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -154.11 115.92 4.22 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.7 mm -99.33 135.46 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.466 1.106 . . . . 0.0 109.956 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 17.0 mm -90.74 153.08 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.664 0.786 . . . . 0.0 110.847 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -139.02 169.96 16.85 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.455 1.902 . . . . 0.0 109.892 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -159.78 -62.57 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.366 1.066 . . . . 0.0 111.739 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -163.44 138.39 6.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 109.145 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 57.37 47.16 17.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.94 1.696 . . . . 0.0 112.128 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 103.38 -163.76 15.67 Favored Glycine 0 N--CA 1.472 1.073 0 C-N-CA 124.708 1.147 . . . . 0.0 114.71 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.9 p -74.0 151.69 40.22 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.112 0.965 . . . . 0.0 112.409 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.13 -6.67 44.29 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.953 1.701 . . . . 0.0 113.99 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 86.68 8.66 76.39 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.534 1.064 . . . . 0.0 114.622 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -148.32 158.92 44.39 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.825 1.313 . . . . 0.0 112.947 175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -164.55 -179.91 38.92 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.117 0.865 . . . . 0.0 115.009 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -122.77 161.04 24.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 127.627 2.371 . . . . 0.0 110.547 -177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -161.46 135.89 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.007 0.923 . . . . 0.0 111.52 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -115.39 134.51 55.03 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.886 1.275 . . . . 0.0 110.702 -173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 93.4 mtp -119.42 149.02 42.55 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.652 1.581 . . . . 0.0 111.362 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -71.63 -35.46 70.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.081 0.953 . . . . 0.0 112.551 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -107.48 149.88 39.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 124.801 1.24 . . . . 0.0 111.819 -171.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.33 -45.02 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.051 2.501 . . . . 0.0 112.537 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.13 -29.61 54.79 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.787 0.835 . . . . 0.0 113.102 -172.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.28 -30.27 66.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.521 0.728 . . . . 0.0 111.941 174.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -76.47 -33.78 58.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.09 -33.01 69.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.029 -0.419 . . . . 0.0 111.771 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -69.95 -37.79 75.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.647 0.658 . . . . 0.0 112.294 170.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.48 94.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.325 0.966 . . . . 0.0 111.904 171.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -57.53 -53.17 61.22 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.689 1.196 . . . . 0.0 111.206 172.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.15 73.47 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -79.87 -62.36 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.214 1.006 . . . . 0.0 110.975 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -74.88 -16.03 60.69 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -169.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -78.42 117.56 19.75 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.712 1.142 . . . . 0.0 111.782 173.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.31 36.7 6.15 Favored Glycine 0 N--CA 1.473 1.148 0 CA-C-O 118.783 -1.009 . . . . 0.0 114.407 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 9.1 t -131.2 143.87 50.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.412 1.085 . . . . 0.0 111.567 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 41.4 m -109.99 103.51 12.27 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.821 1.248 . . . . 0.0 108.506 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 21.7 mt -86.21 -43.56 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.632 -169.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -159.75 72.01 0.5 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.13 1.372 . . . . 0.0 110.024 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 68.68 13.71 66.3 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.354 0.978 . . . . 0.0 114.48 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -139.07 112.45 8.18 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.649 1.98 . . . . 0.0 109.653 -168.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -83.74 90.72 7.36 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.977 0.911 . . . . 0.0 110.516 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.16 130.48 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 126.346 1.859 . . . . 0.0 110.84 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -130.52 137.63 49.82 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.779 1.631 . . . . 0.0 109.198 174.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.89 135.25 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.027 1.731 . . . . 0.0 110.107 -168.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -159.08 -167.48 2.1 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.779 1.632 . . . . 0.0 111.203 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.08 145.46 53.42 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 111.912 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.7 139.26 43.35 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.309 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.4 m -85.28 103.82 14.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.696 1.598 . . . . 0.0 108.181 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.16 141.22 58.16 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.079 173.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -77.43 50.41 0.79 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -168.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.4 m -146.57 157.66 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.924 2.089 . . . . 0.0 111.391 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -145.03 6.62 1.17 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.488 1.515 . . . . 0.0 113.754 -176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -162.15 161.63 28.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.465 1.906 . . . . 0.0 111.777 -169.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 43.3 tttm 64.25 16.13 9.88 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.738 1.615 . . . . 0.0 113.903 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -0.38 52.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -171.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -160.92 147.29 14.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.347 1.859 . . . . 0.0 110.994 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -163.27 134.47 3.65 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.719 1.608 . . . . 0.0 111.093 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.76 121.43 7.64 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.881 2.387 . . . . 0.0 109.348 170.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 55.8 tp -159.44 137.2 10.09 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.502 1.121 . . . . 0.0 110.637 -171.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -135.02 18.62 3.45 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.293 1.437 . . . . 0.0 112.566 -170.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 78.1 p -163.08 177.18 9.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.895 1.678 . . . . 0.0 111.724 -169.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.202 1.801 . . . . 0.0 112.059 -177.701 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 p -86.68 -7.47 58.27 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -139.58 165.55 26.94 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.712 2.005 . . . . 0.0 111.061 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -156.2 139.18 15.38 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 0.0 110.812 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.5 14.27 11.9 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.266 1.427 . . . . 0.0 114.054 -173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.55 -32.73 2.31 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.499 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.43 139.56 71.58 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.117 2.545 . . . . 0.0 112.062 171.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 m -149.06 153.49 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.786 1.634 . . . . 0.0 110.971 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -163.33 -39.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.164 1.386 . . . . 0.0 112.603 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.82 -149.77 38.54 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.027 0.822 . . . . 0.0 113.593 173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -162.67 176.76 10.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.209 1.804 . . . . 0.0 110.527 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -155.39 137.32 14.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.98 1.312 . . . . 0.0 111.949 -176.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.52 125.4 5.95 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.908 2.083 . . . . 0.0 108.876 172.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 47.6 p -148.72 152.0 35.87 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.789 1.236 . . . . 0.0 111.826 -169.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 28.1 ttt -162.66 139.08 7.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.779 2.032 . . . . 0.0 109.609 174.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.88 156.3 16.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.196 0.998 . . . . 0.0 111.559 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -83.86 55.62 3.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.838 1.655 . . . . 0.0 112.372 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -60.25 152.39 24.99 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.062 1.345 . . . . 0.0 113.974 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 mt -139.73 140.76 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 126.093 1.757 . . . . 0.0 108.373 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -111.34 137.07 49.57 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.359 1.863 . . . . 0.0 107.924 174.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 54.4 t -128.68 113.18 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.672 1.189 . . . . 0.0 108.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.06 102.55 1.96 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.18 -149.85 8.3 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-N 118.046 0.923 . . . . 0.0 115.097 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt 72.27 156.23 0.16 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.847 2.859 . . . . 0.0 112.642 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -61.99 -7.77 10.42 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 124.454 3.436 . . . . 0.0 115.159 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.405 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 5.8 t80 81.07 -29.82 0.12 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.843 2.457 . . . . 0.0 112.047 170.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -75.97 23.97 0.13 Allowed 'General case' 0 CA--C 1.561 1.371 0 O-C-N 120.226 -1.546 . . . . 0.0 114.085 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.7 p -98.41 -166.31 1.35 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.345 3.058 . . . . 0.0 111.768 -171.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 83.4 p -146.22 177.0 9.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.338 1.055 . . . . 0.0 112.203 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.67 -28.87 64.17 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -69.54 -32.36 71.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 112.985 176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -64.0 -35.29 80.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.79 1.236 . . . . 0.0 111.789 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.84 -54.71 14.17 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.821 0.848 . . . . 0.0 110.784 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.88 -46.04 88.77 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.82 -27.69 69.35 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.251 1.021 . . . . 0.0 113.05 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -75.87 -48.47 21.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.195 0.907 . . . . 0.0 112.001 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -75.03 -13.23 60.48 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -56.42 -26.14 52.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.628 1.571 . . . . 0.0 113.187 171.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.26 -18.59 64.58 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -94.39 -12.68 27.4 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.597 1.159 . . . . 0.0 113.412 -175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.27 -170.36 20.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.018 1.77 . . . . 0.0 112.64 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.03 112.13 4.84 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 122.059 0.933 . . . . 0.0 113.508 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.81 139.3 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.339 1.456 . . . . 0.0 110.795 170.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -102.79 -37.8 7.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.731 1.612 . . . . 0.0 111.883 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -150.25 144.83 25.84 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.215 1.806 . . . . 0.0 107.914 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.75 137.52 22.66 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.368 1.067 . . . . 0.0 109.675 172.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 m -158.53 119.62 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.811 0.844 . . . . 0.0 112.792 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.19 108.94 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 169.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.25 99.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 124.641 1.176 . . . . 0.0 111.218 -169.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -153.01 -65.52 0.16 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.545 1.938 . . . . 0.0 108.359 -174.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -169.35 123.89 0.82 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.108 1.363 . . . . 0.0 109.869 -169.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -70.59 -21.38 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -98.13 -36.08 10.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.228 1.411 . . . . 0.0 113.151 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -103.44 -26.67 12.79 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.81 0.844 . . . . 0.0 112.623 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 58.34 40.14 24.72 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.752 1.621 . . . . 0.0 113.162 166.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -80.97 -126.71 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.248 1.019 . . . . 0.0 111.885 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 66.3 p -151.38 147.88 27.44 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.695 -1.253 . . . . 0.0 113.014 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -156.0 13.18 0.32 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.7 1.6 . . . . 0.0 112.84 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.67 -154.78 18.75 Favored Glycine 0 C--N 1.341 0.847 0 C-N-CA 127.087 2.279 . . . . 0.0 109.64 -171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -39.6 158.39 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 130.142 3.377 . . . . 0.0 119.754 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.35 164.81 28.33 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.373 1.463 . . . . 0.0 114.581 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.403 ' CZ ' ' C8 ' ' C' ' 11' ' ' ' G' . 86.1 m-85 -107.01 152.03 24.53 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.847 1.659 . . . . 0.0 111.934 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 9.5 t -147.47 91.92 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 172.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 24.3 m -73.16 141.5 47.42 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.686 -1.259 . . . . 0.0 111.103 169.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 77.3 mmm -102.01 160.67 14.3 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.626 1.171 . . . . 0.0 112.124 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.39 -33.39 75.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.333 1.053 . . . . 0.0 113.173 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -143.53 154.47 43.65 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.075 1.35 . . . . 0.0 112.518 169.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 ptt85 -56.16 -24.89 44.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 113.024 -1.898 . . . . 0.0 113.62 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.89 75.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.931 1.241 . . . . 0.0 111.444 176.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 19.0 m -62.63 -33.93 76.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.871 0.868 . . . . 0.0 111.747 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.92 -22.25 60.77 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.22 -42.39 59.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.226 1.376 . . . . 0.0 110.426 169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -57.51 -39.62 76.91 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.521 0.728 . . . . 0.0 111.271 172.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.92 -6.01 44.68 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 174.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.9 m -114.57 2.73 14.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.571 1.548 . . . . 0.0 113.56 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -38.45 -39.51 0.47 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.76 2.424 . . . . 0.0 115.493 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.85 142.51 38.95 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 126.07 1.748 . . . . 0.0 109.137 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -81.35 -32.56 0.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.217 2.612 . . . . 0.0 111.877 -176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -123.93 67.15 41.5 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 0.0 112.918 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -74.05 162.13 39.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.616 2.877 . . . . 0.0 111.45 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.58 130.97 35.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.63 107.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.842 1.257 . . . . 0.0 108.032 -175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 62.55 12.65 5.61 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.256 2.222 . . . . 0.0 115.471 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.28 -4.04 11.24 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.29 1.424 . . . . 0.0 115.385 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -121.17 150.79 40.76 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.662 1.231 . . . . 0.0 111.502 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -63.2 144.19 57.14 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.653 -0.654 . . . . 0.0 110.155 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.44 -173.71 2.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.789 1.635 . . . . 0.0 110.18 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -135.42 126.33 27.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.127 1.771 . . . . 0.0 107.496 168.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.1 t -133.95 122.8 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.333 1.453 . . . . 0.0 109.346 -169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -154.03 163.95 39.25 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.571 1.149 . . . . 0.0 111.211 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.28 129.35 40.34 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 170.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.36 92.33 6.97 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.839 0.828 . . . . 0.0 112.043 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -138.47 -0.13 2.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.739 1.216 . . . . 0.0 112.711 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 75.7 mt -94.9 79.79 3.66 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.572 1.949 . . . . 0.0 109.149 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.93 -0.94 89.32 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.815 1.198 . . . . 0.0 114.929 -176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.29 151.12 13.29 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.998 1.719 . . . . 0.0 113.279 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -41.74 113.59 1.17 Allowed Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 125.305 1.442 . . . . 0.0 112.936 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -66.45 165.24 25.62 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.682 2.921 . . . . 0.0 113.758 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -134.45 155.35 50.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.838 2.055 . . . . 0.0 109.962 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -53.61 124.84 16.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.112 1.765 . . . . 0.0 111.362 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -144.7 -0.73 0.92 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -169.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 25.1 t 69.84 -56.99 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 128.099 2.559 . . . . 0.0 112.361 -175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -164.54 136.23 4.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.099 1.759 . . . . 0.0 109.643 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -153.53 126.42 8.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.284 1.434 . . . . 0.0 109.446 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.283 1.833 . . . . 0.0 112.033 -177.43 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.457 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.416 3 O4'-C1'-N19 112.91 4.71 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 0 C4'-C3'-C2' 99.684 -3.016 . 0.275 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 O4'-C1'-N19 112.621 4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C5'-C4'-C3' 109.568 -3.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O4'-C1'-N19 111.828 3.628 . 0.131 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.743 4.543 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.405 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 O4'--C4' 1.425 -2.327 1 O4'-C1'-N19 113.683 5.483 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.578 3 O4'-C1'-N19 114.569 6.369 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C5'-C4'-C3' 112.423 -2.051 . 0.159 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 109.719 -3.854 . 0.247 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.403 ' C8 ' ' CZ ' ' B' ' 80' ' ' PHE . . . . . . . . 0 O4'--C4' 1.431 -1.858 1 O4'-C1'-N19 113.622 5.422 . 0.03 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.121 2.921 . 0.296 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.94 174.27 15.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.075 1.75 . . . . 0.0 111.639 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.71 87.97 0.55 Allowed Glycine 0 CA--C 1.537 1.455 0 CA-C-O 118.134 -1.37 . . . . 0.0 112.027 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.6 156.15 53.96 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.587 2.858 . . . . 0.0 111.398 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -146.87 18.21 1.26 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -173.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -107.05 143.91 34.49 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.733 1.213 . . . . 0.0 108.769 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -131.06 140.64 50.09 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 126.952 2.101 . . . . 0.0 109.156 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -92.86 144.94 24.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.113 1.765 . . . . 0.0 108.647 167.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -136.0 122.8 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.075 0.95 . . . . 0.0 109.684 -173.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.7 t -128.37 158.34 38.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 -169.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 64.85 19.65 11.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.935 2.494 . . . . 0.0 113.165 -169.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.2 mt -48.62 141.76 9.34 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 126.702 2.001 . . . . 0.0 110.155 167.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.4 152.3 79.07 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 122.161 1.907 . . . . 0.0 111.543 -174.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 1.3 m-30 -48.69 -42.71 35.67 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.93 1.292 . . . . 0.0 113.61 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.7 113.27 26.0 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.807 1.243 . . . . 0.0 110.272 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -161.72 176.31 11.06 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.863 1.265 . . . . 0.0 112.536 -175.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -163.59 165.48 23.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.164 -173.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.81 -42.51 44.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 125.167 1.387 . . . . 0.0 113.801 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -25.18 29.88 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.181 1.921 . . . . 0.0 113.05 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.82 -40.33 69.19 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.04 0.836 . . . . 0.0 111.284 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.21 -41.38 94.52 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.26 171.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 95.8 m -56.54 -47.59 79.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.575 1.15 . . . . 0.0 110.709 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.1 81.67 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 11.2 ttp -59.47 -28.99 67.5 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.16 -29.68 11.58 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.179 0.991 . . . . 0.0 112.995 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -56.25 -20.33 17.96 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.328 0.967 . . . . 0.0 113.11 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.71 -11.05 60.55 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.51 -23.32 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.78 166.57 39.75 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-N 120.069 1.304 . . . . 0.0 113.74 172.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -69.47 131.72 22.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.781 2.321 . . . . 0.0 111.774 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -98.84 137.66 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.857 1.663 . . . . 0.0 109.988 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.7 t -116.77 -29.92 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.019 1.728 . . . . 0.0 112.319 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -158.21 165.33 35.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.765 1.626 . . . . 0.0 109.621 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 p -159.2 156.03 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.881 1.272 . . . . 0.0 110.289 -169.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -152.71 140.15 19.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.019 1.328 . . . . 0.0 110.617 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.2 mm -144.17 122.1 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.915 2.086 . . . . 0.0 107.0 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.26 85.39 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.582 0.628 . . . . 0.0 111.306 -173.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -52.36 144.65 12.59 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.762 1.225 . . . . 0.0 114.306 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.403 ' ND2' ' H42' ' C' ' 3' ' ' ' C' . 37.5 t30 -133.85 172.25 13.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.26 2.224 . . . . 0.0 110.793 -168.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.32 -15.82 39.54 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -150.8 114.53 4.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.621 1.969 . . . . 0.0 109.022 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.1 -143.43 46.31 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 124.217 0.913 . . . . 0.0 112.768 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.5 p -107.16 172.55 6.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.235 0.614 . . . . 0.0 110.898 168.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -62.99 -9.45 10.07 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.229 1.011 . . . . 0.0 113.342 173.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.2 58.37 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.037 1.78 . . . . 0.0 113.066 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -151.06 165.7 33.01 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.267 1.827 . . . . 0.0 111.875 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -159.92 -168.4 21.84 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.929 1.252 . . . . 0.0 113.371 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -138.05 163.67 31.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.423 1.489 . . . . 0.0 109.797 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.02 143.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.017 0.927 . . . . 0.0 111.178 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 18.9 m -122.67 129.47 51.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.505 1.522 . . . . 0.0 109.527 -173.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -114.08 160.34 19.02 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.271 1.429 . . . . 0.0 111.478 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -74.24 -47.34 35.79 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.451 0.7 . . . . 0.0 110.446 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -97.73 117.94 64.66 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.907 0.883 . . . . 0.0 110.552 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -68.71 -23.5 35.99 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.766 2.311 . . . . 0.0 112.462 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.37 -34.57 63.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.616 0.766 . . . . 0.0 112.857 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -79.44 -32.13 42.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.419 -0.8 . . . . 0.0 111.879 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.67 -23.62 67.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.946 0.898 . . . . 0.0 112.554 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -85.22 -25.27 27.43 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.201 0.6 . . . . 0.0 111.823 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -79.59 -42.01 25.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.015 0.926 . . . . 0.0 110.089 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.0 84.37 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.323 1.049 . . . . 0.0 111.852 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -64.5 -50.9 65.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.263 1.025 . . . . 0.0 112.155 172.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.35 69.74 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -84.78 -68.55 0.71 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.513 1.125 . . . . 0.0 111.203 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.02 1.6 5.5 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -168.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -93.5 131.49 38.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.682 1.128 . . . . 0.0 112.829 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 75.91 34.69 47.15 Favored Glycine 0 N--CA 1.474 1.214 0 CA-C-O 119.103 -0.831 . . . . 0.0 113.436 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.3 t -123.37 148.83 45.67 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.682 1.193 . . . . 0.0 112.19 -172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 9.2 m -116.77 137.83 51.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.65 2.38 . . . . 0.0 107.706 174.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 50.9 mt -107.95 -73.41 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.501 0.72 . . . . 0.0 109.735 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -153.69 101.06 2.44 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.515 1.126 . . . . 0.0 110.671 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.67 8.74 41.62 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.981 1.277 . . . . 0.0 114.985 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.31 156.9 37.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 127.747 2.419 . . . . 0.0 111.286 -173.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -118.89 172.32 7.62 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.541 1.537 . . . . 0.0 112.454 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 21.1 t -138.9 138.43 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.187 1.395 . . . . 0.0 108.55 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -135.11 138.2 43.56 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.136 1.374 . . . . 0.0 109.623 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.11 131.16 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.572 1.549 . . . . 0.0 110.205 -169.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -160.1 161.98 33.94 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.015 0.926 . . . . 0.0 112.533 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.36 143.27 15.39 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.883 1.273 . . . . 0.0 112.618 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.58 149.41 23.29 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -171.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.8 t -84.18 126.39 33.08 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.53 149.32 33.12 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.912 0.885 . . . . 0.0 110.506 -174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH22 " H2'" ' C' ' 7' ' ' ' G' . 59.3 mtp180 -77.88 58.68 1.95 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.111 0.965 . . . . 0.0 112.414 -170.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.75 150.51 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 127.869 2.468 . . . . 0.0 110.342 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -77.38 -10.8 59.67 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -160.2 161.87 33.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.383 1.473 . . . . 0.0 113.15 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -162.47 141.29 9.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.108 1.763 . . . . 0.0 110.932 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.2 154.51 25.51 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.648 1.579 . . . . 0.0 112.312 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -163.88 152.7 13.71 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.105 1.762 . . . . 0.0 111.22 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -157.35 134.69 6.87 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 125.1 1.36 . . . . 0.0 111.247 -177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.11 141.5 98.19 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 123.597 2.865 . . . . 0.0 112.612 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 89.3 mt -115.7 1.43 13.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 0.0 113.127 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.4 mtt -147.13 156.19 42.78 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.679 1.992 . . . . 0.0 110.816 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.9 m -76.62 -7.95 56.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -174.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.77 2.028 . . . . 0.0 110.346 -177.3 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 m -58.39 140.99 52.71 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.49 1.116 . . . . 0.0 112.748 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -101.29 4.58 41.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.169 1.388 . . . . 0.0 113.621 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.0 t30 70.46 -30.24 0.2 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.236 2.614 . . . . 0.0 112.932 -169.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.54 -28.87 33.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.918 1.287 . . . . 0.0 112.164 169.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -141.18 122.12 8.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.772 1.629 . . . . 0.0 110.367 177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -66.5 144.72 74.21 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.48 2.787 . . . . 0.0 111.396 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -136.24 91.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.71 1.204 . . . . 0.0 108.261 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -155.43 153.56 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 127.181 2.192 . . . . 0.0 110.237 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.23 162.39 29.18 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.272 0.939 . . . . 0.0 114.11 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.3 p -167.4 165.78 14.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.865 1.666 . . . . 0.0 111.944 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 72.71 161.89 0.25 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.714 2.406 . . . . 0.0 113.802 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -160.9 138.47 9.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.062 1.745 . . . . 0.0 111.161 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.9 p -151.1 157.36 42.66 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.403 1.881 . . . . 0.0 110.687 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -58.19 142.11 48.47 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.703 1.201 . . . . 0.0 111.723 175.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -80.29 67.01 5.98 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.83 1.252 . . . . 0.0 112.249 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 6.0 p 80.94 148.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 129.748 3.219 . . . . 0.0 111.487 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -173.77 128.44 0.4 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 127.643 2.377 . . . . 0.0 109.845 168.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mt -140.63 107.46 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.704 0.802 . . . . 0.0 110.523 -171.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -66.43 143.54 57.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.013 1.325 . . . . 0.0 110.32 167.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.83 90.33 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 112.382 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.33 71.53 0.62 Allowed Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.69 1.138 . . . . 0.0 113.662 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.72 -177.85 15.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 126.613 2.054 . . . . 0.0 112.948 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.8 mt 74.38 143.99 0.1 Allowed Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 128.694 2.798 . . . . 0.0 112.993 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -58.55 149.08 77.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.433 2.755 . . . . 0.0 112.675 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -1.88 3.2 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 125.231 1.413 . . . . 0.0 114.355 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -114.9 0.35 13.71 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.869 2.067 . . . . 0.0 114.177 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 53.5 m -88.28 154.39 20.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.98 1.712 . . . . 0.0 111.652 -176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -100.72 165.17 11.52 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.301 1.841 . . . . 0.0 114.723 -169.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -56.02 -41.5 75.03 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 117.524 2.416 . . . . 0.0 117.524 -168.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -68.54 -17.91 64.25 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.2 p -64.64 -35.68 81.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.905 -172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.6 tp -69.3 -45.58 69.23 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.395 0.998 . . . . 0.0 111.7 175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -61.35 -40.18 93.33 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.408 0.683 . . . . 0.0 111.437 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.8 -17.25 64.46 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.842 1.257 . . . . 0.0 113.697 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -91.18 -47.96 7.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.374 0.988 . . . . 0.0 112.285 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -79.39 -10.58 59.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -9.08 32.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 173.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -72.83 -17.88 61.51 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.763 0.825 . . . . 0.0 113.196 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -96.5 -8.05 33.07 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.925 1.29 . . . . 0.0 113.687 -174.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.04 177.28 14.82 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.71 2.1 . . . . 0.0 112.892 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.5 140.21 58.12 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -170.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.1 mt -100.31 138.62 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -97.53 -35.71 10.55 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.069 1.748 . . . . 0.0 113.561 173.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -169.54 97.86 0.32 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.372 1.869 . . . . 0.0 108.529 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.27 118.54 21.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.526 0.73 . . . . 0.0 110.686 173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 m -154.9 156.23 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.8 1.64 . . . . 0.0 110.362 -169.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.5 t -106.56 136.95 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.199 1.4 . . . . 0.0 108.602 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.8 mm -79.53 112.21 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 51.6 p -116.66 -120.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.793 1.237 . . . . 0.0 111.924 -167.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.15 120.87 0.52 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 127.199 2.2 . . . . 0.0 109.917 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -69.42 -2.19 10.4 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -104.7 -17.62 14.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -139.22 -24.24 0.88 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -174.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 67.05 20.02 10.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.168 2.187 . . . . 0.0 113.144 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -91.65 141.29 28.86 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.958 1.303 . . . . 0.0 112.332 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t -60.1 137.46 58.09 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -78.25 7.17 6.76 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.387 2.275 . . . . 0.0 111.783 168.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.93 58.21 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 127.199 2.333 . . . . 0.0 114.577 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -156.89 155.23 31.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.18 1.49 . . . . 0.0 114.681 -174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -135.32 -165.72 10.83 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 126.168 1.842 . . . . 0.0 113.56 172.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -143.46 143.99 31.82 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.648 2.379 . . . . 0.0 109.525 -173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.12 146.82 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 127.021 2.128 . . . . 0.0 109.119 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -156.96 138.17 13.71 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.869 2.068 . . . . 0.0 107.152 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 72.3 mmm -122.12 150.92 41.5 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -63.42 -35.58 80.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.156 1.382 . . . . 0.0 113.852 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.15 151.62 50.85 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.102 1.361 . . . . 0.0 111.822 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 64.0 mtt-85 -62.96 -28.19 69.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.668 1.187 . . . . 0.0 113.797 -170.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.93 93.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.01 0.823 . . . . 0.0 112.131 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.1 m -67.59 -29.29 68.6 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 112.397 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.26 -28.53 59.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.347 -0.846 . . . . 0.0 113.268 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.41 -38.01 77.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.506 0.594 . . . . 0.0 110.366 169.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -65.7 -43.4 89.32 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.04 -39.7 66.42 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.359 0.527 . . . . 0.0 111.274 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.44 11.78 16.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.02 -47.38 85.03 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -101.22 132.87 21.37 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 125.283 1.433 . . . . 0.0 111.438 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -88.07 -26.73 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.663 2.909 . . . . 0.0 112.785 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -139.7 61.95 20.99 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.106 1.362 . . . . 0.0 111.779 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.84 157.65 59.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.283 2.655 . . . . 0.0 111.145 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 30.0 mm -83.6 129.09 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 13.4 mt -138.3 121.15 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.897 1.279 . . . . 0.0 107.702 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.46 32.75 22.46 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.653 1.581 . . . . 0.0 113.255 -175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 84.94 10.96 77.69 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.942 1.258 . . . . 0.0 115.0 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -135.75 142.19 44.93 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.168 1.787 . . . . 0.0 110.419 -173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -69.31 128.89 38.19 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.828 -1.17 . . . . 0.0 112.212 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.84 -171.25 2.4 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.972 1.709 . . . . 0.0 111.788 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -155.08 115.64 3.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 110.097 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 71.2 t -96.92 143.34 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 109.517 -171.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.79 140.92 13.88 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.573 1.549 . . . . 0.0 110.429 -169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.05 7.45 7.35 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.37 1.468 . . . . 0.0 114.883 -175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.36 -17.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.704 2.802 . . . . 0.0 116.85 168.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -63.72 -7.63 8.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.73 1.612 . . . . 0.0 115.182 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 41.7 mt -59.33 -21.74 60.21 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.721 1.608 . . . . 0.0 112.049 170.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.98 107.61 0.31 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 126.886 2.184 . . . . 0.0 110.369 171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -118.3 -170.01 1.81 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.684 1.594 . . . . 0.0 114.819 -171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -50.34 149.22 5.62 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.085 1.354 . . . . 0.0 114.49 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.96 133.74 57.75 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.291 2.66 . . . . 0.0 111.467 172.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -156.94 171.13 21.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.678 1.591 . . . . 0.0 112.596 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 10.9 p -67.61 131.71 46.13 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.412 1.085 . . . . 0.0 108.753 168.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -163.99 164.03 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.775 1.23 . . . . 0.0 111.918 -169.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 21.8 m -143.13 148.64 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.933 1.693 . . . . 0.0 110.927 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -94.98 -3.48 48.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.356 1.063 . . . . 0.0 112.914 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 59.2 tp -158.23 139.15 13.07 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.978 1.711 . . . . 0.0 110.089 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.198 1.799 . . . . 0.0 112.067 -178.1 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.428 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 98.408 -3.436 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O5'-C5'-C4' 114.161 2.83 . 0.041 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . 0.403 ' H42' ' ND2' ' A' ' 134' ' ' ASN . . . . . . . . 0 C5'--C4' 1.544 2.591 1 O4'-C1'-N19 112.775 4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O4'-C1'-N19 111.527 3.327 . 0.243 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 1 O4'-C1'-N19 112.429 4.229 . 0.251 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 O4'-C1'-N19 113.528 5.328 . 0.272 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.554 " H2'" HH22 ' A' ' 177' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 2.358 1 O4'-C1'-N19 114.159 5.959 . 0.048 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 2 O4'-C1'-N19 113.159 4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C3'-C2'-C1' 104.89 3.767 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.441 2 O4'-C1'-N19 113.422 5.222 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-C3' 109.622 -3.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 C5'-C4'-C3' 111.07 -2.954 . 0.444 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.2 -14.27 36.39 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.122 1.369 . . . . 0.0 114.334 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.82 129.95 2.41 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 125.691 1.615 . . . . 0.0 112.996 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -78.99 142.45 17.35 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.263 2.642 . . . . 0.0 110.813 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.55 11.66 1.55 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -118.23 146.09 44.52 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.963 1.705 . . . . 0.0 110.736 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.17 144.61 51.27 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 126.79 2.036 . . . . 0.0 108.58 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -101.71 146.32 27.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.759 2.024 . . . . 0.0 109.209 169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.8 t -133.78 138.9 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.469 1.508 . . . . 0.0 107.995 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -145.48 166.7 24.91 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.573 1.149 . . . . 0.0 111.961 -169.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 67.95 8.56 6.55 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.653 1.981 . . . . 0.0 112.726 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 mt -45.73 133.34 6.53 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 127.522 2.329 . . . . 0.0 111.407 171.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -69.79 154.72 67.3 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.633 2.222 . . . . 0.0 110.931 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 10.8 m-30 -62.1 -21.95 65.4 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -99.51 80.21 2.36 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -161.32 146.86 14.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.409 1.084 . . . . 0.0 112.424 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -136.14 -177.38 4.68 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.058 1.743 . . . . 0.0 110.893 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -74.41 -35.56 2.26 Favored Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 120.639 -1.288 . . . . 0.0 113.575 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -63.62 -14.85 45.15 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.305 2.67 . . . . 0.0 115.366 170.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -84.29 -14.96 48.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.488 0.715 . . . . 0.0 112.095 171.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.6 tp -103.16 -56.42 2.22 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.757 1.623 . . . . 0.0 110.831 -172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.8 m -50.86 -42.03 58.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.806 1.642 . . . . 0.0 112.565 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.82 -7.53 40.68 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 54.2 mtm -84.76 -44.78 13.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.324 0.965 . . . . 0.0 110.927 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -74.07 -33.22 63.6 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.952 0.901 . . . . 0.0 112.153 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -59.08 -6.34 0.84 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.278 1.431 . . . . 0.0 114.446 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -80.47 -15.64 56.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.492 -1.38 . . . . 0.0 113.528 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.38 -9.07 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 176.21 170.5 38.97 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.214 0.915 . . . . 0.0 113.898 170.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -69.6 128.71 16.57 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.808 2.339 . . . . 0.0 111.485 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.0 t -87.1 131.42 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.363 1.465 . . . . 0.0 109.233 173.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.34 -28.56 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.661 1.985 . . . . 0.0 111.463 -174.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -157.06 161.47 39.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.438 1.495 . . . . 0.0 111.127 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 11.8 p -157.82 139.39 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 126.812 2.045 . . . . 0.0 108.132 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -152.28 95.43 2.05 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -168.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.42 136.23 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 168.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.6 mm -91.64 140.79 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.573 -0.704 . . . . 0.0 110.523 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.04 157.41 28.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.532 1.533 . . . . 0.0 111.517 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -152.35 -74.51 0.14 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.252 0.621 . . . . 0.0 112.024 -175.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.6 141.92 27.42 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.963 1.705 . . . . 0.0 109.52 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 54.13 40.96 32.16 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.635 1.574 . . . . 0.0 112.703 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.59 -157.53 14.9 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.491 1.043 . . . . 0.0 114.182 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 54.6 p -69.29 148.36 49.87 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.86 0.838 . . . . 0.0 111.816 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -67.07 -24.97 66.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.13 1.372 . . . . 0.0 112.588 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.44 9.31 25.56 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.684 1.612 . . . . 0.0 114.331 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -151.45 172.86 15.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.447 1.499 . . . . 0.0 112.362 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -168.03 -176.58 38.65 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 115.524 0.97 . . . . 0.0 115.524 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.52 162.5 30.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.878 2.071 . . . . 0.0 110.609 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.9 p -157.0 136.94 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.027 1.331 . . . . 0.0 110.5 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 6.9 m -118.69 139.36 51.66 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.625 1.57 . . . . 0.0 109.823 -175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 83.9 mtp -123.33 169.65 11.11 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.214 1.406 . . . . 0.0 111.626 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.83 -36.98 82.75 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.645 -0.659 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -144.92 152.07 50.82 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 125.536 1.535 . . . . 0.0 111.172 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.53 -30.58 14.82 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.15 2.567 . . . . 0.0 113.163 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.22 -21.53 58.57 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.51 -20.64 50.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.984 0.914 . . . . 0.0 112.319 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.99 -41.49 11.7 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.618 1.167 . . . . 0.0 111.605 -175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.69 -23.53 42.62 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 -67.1 -34.14 76.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.54 0.736 . . . . 0.0 112.082 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -77.73 -40.83 39.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.513 1.125 . . . . 0.0 111.329 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -54.99 -39.82 69.44 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.514 0.726 . . . . 0.0 112.25 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.21 -15.19 61.01 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -112.65 -30.0 7.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -108.84 17.72 21.51 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.153 1.381 . . . . 0.0 112.763 -175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -116.09 121.42 42.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.186 1.394 . . . . 0.0 110.265 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.6 7.7 85.76 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.369 0.985 . . . . 0.0 114.689 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.7 t -91.53 169.21 10.95 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 110.478 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 83.2 m -134.58 129.41 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.545 1.538 . . . . 0.0 109.806 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 6.9 mt -145.6 137.48 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.985 1.314 . . . . 0.0 109.341 -172.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 63.67 -11.44 0.11 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.741 2.416 . . . . 0.0 115.961 176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 129.32 4.18 5.02 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.892 1.71 . . . . 0.0 115.353 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -133.73 149.96 51.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.923 1.361 . . . . 0.0 111.726 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -68.76 152.7 44.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.067 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 15.1 t -113.88 140.28 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.788 1.635 . . . . 0.0 108.885 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -134.87 132.19 38.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.136 1.375 . . . . 0.0 108.914 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 98.2 t -147.63 134.4 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.741 1.616 . . . . 0.0 109.454 -170.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -157.09 167.5 30.24 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.335 1.054 . . . . 0.0 112.518 177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 79.5 mt -50.51 142.08 11.27 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.916 1.286 . . . . 0.0 112.023 172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.03 158.08 15.9 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 68.2 p -79.44 -173.24 3.62 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.382 165.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -149.08 142.28 25.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 168.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 24.5 mtt-85 -78.28 83.28 4.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.838 -0.539 . . . . 0.0 111.838 -169.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 26.1 m -136.51 167.43 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 126.637 1.975 . . . . 0.0 111.42 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -153.35 172.39 17.12 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.358 1.463 . . . . 0.0 113.007 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 70.23 133.73 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.546 2.738 . . . . 0.0 113.043 -174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.2 134.96 55.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.531 1.133 . . . . 0.0 112.423 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -97.46 168.03 10.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.022 1.329 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -155.71 158.78 38.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.701 1.6 . . . . 0.0 111.618 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.55 142.36 94.09 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 123.682 0.793 . . . . 0.0 112.432 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -73.1 161.59 42.9 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.374 2.716 . . . . 0.0 111.146 174.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 99.4 mt -139.61 127.1 21.57 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.549 1.54 . . . . 0.0 109.465 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 11.6 ttt 65.42 19.08 11.53 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.89 1.676 . . . . 0.0 112.718 -173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 92.8 p -164.17 175.23 10.37 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.642 1.977 . . . . 0.0 111.204 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.648 1.979 . . . . 0.0 112.704 -178.237 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 p -63.93 -16.31 61.18 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 20.3 p -59.37 -17.99 34.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.417 2.287 . . . . 0.0 113.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -79.28 -2.51 41.62 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 171.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.39 -131.69 0.06 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.776 2.031 . . . . 0.0 109.591 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.47 127.97 3.79 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.86 1.264 . . . . 0.0 111.331 177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -64.78 156.69 60.33 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.771 2.981 . . . . 0.0 112.865 171.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.35 133.2 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.306 1.442 . . . . 0.0 110.159 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.53 141.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.735 1.614 . . . . 0.0 110.532 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.72 147.36 18.74 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.763 1.173 . . . . 0.0 112.74 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -134.02 8.57 3.78 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -170.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -145.37 162.62 36.84 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.182 1.793 . . . . 0.0 111.609 -175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -134.56 142.73 47.05 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.228 1.811 . . . . 0.0 110.594 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.7 p -146.94 170.74 16.45 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.015 1.726 . . . . 0.0 111.523 -169.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtt -137.77 149.13 46.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.827 1.651 . . . . 0.0 110.197 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.69 25.24 5.05 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.381 1.072 . . . . 0.0 113.46 -169.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 63.8 p -131.02 -59.97 0.97 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.691 1.196 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.16 139.76 58.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.637 1.575 . . . . 0.0 113.933 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.3 mt -144.07 132.59 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 128.115 2.566 . . . . 0.0 109.452 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -98.67 118.31 35.1 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.886 1.674 . . . . 0.0 109.513 171.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.1 101.79 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 118.64 0.654 . . . . 0.0 109.561 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.1 166.99 49.01 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.391 0.996 . . . . 0.0 114.047 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.97 -95.84 0.84 Allowed Glycine 0 CA--C 1.537 1.456 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 170.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt 59.08 176.77 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 -176.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -61.19 -8.88 11.09 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 123.848 3.032 . . . . 0.0 114.059 166.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 82.54 -35.51 0.09 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.605 3.162 . . . . 0.0 112.462 169.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -71.77 -8.07 52.0 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.026 1.33 . . . . 0.0 113.469 169.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 154.72 20.36 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.623 3.169 . . . . 0.0 112.866 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.8 m -140.69 177.46 8.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.339 1.456 . . . . 0.0 112.365 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.15 -32.76 16.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.717 2.007 . . . . 0.0 114.115 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -75.29 2.78 10.27 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 25.6 m -116.25 -56.39 2.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.228 2.211 . . . . 0.0 107.935 168.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.7 -29.03 58.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -89.24 -15.52 33.4 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -95.21 -38.81 10.4 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.365 1.066 . . . . 0.0 112.456 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -66.44 -27.0 67.48 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -93.64 -4.62 50.35 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -16.44 62.65 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.44 -16.77 62.39 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.191 0.996 . . . . 0.0 113.097 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -95.25 -18.37 20.91 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.84 1.256 . . . . 0.0 112.884 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.58 -167.21 25.94 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.59 1.566 . . . . 0.0 113.382 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -70.63 105.73 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.407 1.083 . . . . 0.0 113.516 -172.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -66.04 109.01 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.986 0.914 . . . . 0.0 110.216 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -62.33 -50.22 72.47 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.554 1.541 . . . . 0.0 110.618 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -165.71 150.85 8.78 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.182 1.793 . . . . 0.0 109.441 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.68 151.44 37.22 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.971 0.908 . . . . 0.0 111.364 173.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.35 156.47 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.129 1.371 . . . . 0.0 112.045 -173.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.46 126.5 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 168.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.253 4.5 mm -75.04 -74.37 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -167.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . 0.335 32.9 p 98.54 -118.65 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 131.17 3.788 . . . . 0.0 111.328 171.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -163.86 135.26 4.67 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.67 1.588 . . . . 0.0 111.455 -172.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -63.58 -21.71 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -88.43 -22.68 23.59 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.957 -1.089 . . . . 0.0 112.163 -172.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 81.3 p -142.99 -33.35 0.45 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -169.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 63.94 23.01 13.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.523 1.929 . . . . 0.0 112.329 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -90.37 166.56 13.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.486 1.115 . . . . 0.0 113.339 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -52.09 142.47 16.14 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.474 1.51 . . . . 0.0 113.95 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -151.13 131.95 14.11 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.239 1.816 . . . . 0.0 107.739 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.2 34.31 0.93 Allowed Glycine 0 N--CA 1.476 1.308 0 N-CA-C 116.728 1.451 . . . . 0.0 116.728 -168.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -167.68 140.94 3.37 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.96 -177.28 17.81 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 126.581 2.038 . . . . 0.0 112.049 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.57 137.49 54.87 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.4 1.48 . . . . 0.0 110.186 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.56 136.53 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.458 1.503 . . . . 0.0 108.747 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.7 m -119.59 127.92 53.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.171 1.388 . . . . 0.0 108.978 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 86.1 mmm -104.52 144.2 32.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.928 0.891 . . . . 0.0 111.21 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -64.95 -38.04 89.65 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -116.56 160.66 20.32 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.963 1.305 . . . . 0.0 112.755 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -64.79 -36.55 84.69 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 114.278 -1.328 . . . . 0.0 112.211 172.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 -38.9 73.72 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.449 1.022 . . . . 0.0 110.767 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 37.6 m -59.74 -40.18 87.24 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.19 0.596 . . . . 0.0 111.581 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.75 -44.92 80.2 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 170.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.57 -42.94 89.14 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.914 0.779 . . . . 0.0 112.179 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -62.92 -31.73 72.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.549 1.14 . . . . 0.0 113.253 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.41 67.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.129 0.572 . . . . 0.0 111.658 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 80.6 m -83.13 -13.0 56.47 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.49 1.116 . . . . 0.0 113.5 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -49.92 -45.22 50.86 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.205 1.802 . . . . 0.0 112.456 -177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -98.7 134.15 21.9 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 123.977 0.911 . . . . 0.0 109.981 168.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -97.59 -1.2 1.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.028 2.485 . . . . 0.0 114.069 -171.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -160.24 61.33 1.57 Allowed Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.607 1.563 . . . . 0.0 110.889 -174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.13 148.34 34.66 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.873 2.382 . . . . 0.0 111.466 -175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.86 116.79 21.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 55.4 mt -122.36 120.74 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 26.6 t70 54.87 28.84 11.01 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.426 1.491 . . . . 0.0 114.088 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.84 15.74 35.74 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.225 -1.319 . . . . 0.0 115.696 173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 50.4 ttt85 -149.04 146.39 27.73 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.407 1.604 . . . . 0.0 113.059 172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.8 105.3 0.97 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 0.0 113.056 176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.76 -156.05 0.2 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.593 1.957 . . . . 0.0 112.331 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -155.72 150.53 26.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.548 2.339 . . . . 0.0 108.557 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.31 136.99 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.905 1.282 . . . . 0.0 108.928 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -165.34 153.1 11.09 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.326 1.451 . . . . 0.0 112.148 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.83 131.13 49.44 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -17.39 63.15 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -166.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -61.84 -6.31 2.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 60.2 mt -59.93 -24.84 64.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.118 0.967 . . . . 0.0 110.973 167.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.38 -88.54 0.4 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 127.323 2.392 . . . . 0.0 110.005 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.92 157.07 0.11 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 130.481 3.512 . . . . 0.0 115.18 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -59.51 136.11 89.16 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.437 1.095 . . . . 0.0 111.713 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.3 142.21 69.09 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 123.986 3.124 . . . . 0.0 113.471 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -69.17 138.28 54.0 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.458 1.103 . . . . 0.0 111.779 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 5.9 t -76.63 -176.36 3.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.433 1.493 . . . . 0.0 111.691 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.04 72.31 0.42 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.533 1.533 . . . . 0.0 112.403 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.99 59.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.191 1.796 . . . . 0.0 110.499 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -160.25 139.76 11.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.84 1.656 . . . . 0.0 109.542 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 57.2 tp -157.19 139.2 14.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.288 1.435 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.286 1.834 . . . . 0.0 112.044 -178.259 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.47 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.425 -2.357 2 O4'-C1'-N19 112.83 4.63 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 C4'-C3'-C2' 99.514 -3.186 . 0.198 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O5'-C5'-C4' 113.611 2.436 . 0.023 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 1 O4'-C1'-N19 112.359 4.159 . 0.24 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C3'-C2'-C1' 105.196 4.106 . 0.11 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.39 1 O4'-C1'-N19 114.844 6.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 C3'-C2'-C1' 106.179 5.199 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C3'-C2'-C1' 104.803 3.671 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 2 C3'-C2'-C1' 105.874 4.861 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.123 1 C5'-C4'-C3' 108.244 -4.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.353 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -162.68 143.23 9.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.69 1.996 . . . . 0.0 111.338 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 174.19 151.51 8.36 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-O 118.593 -1.115 . . . . 0.0 113.685 174.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -86.76 142.6 6.82 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.985 3.123 . . . . 0.0 110.831 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.6 mmt-85 -145.13 158.85 43.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -148.41 -42.19 0.16 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.698 1.199 . . . . 0.0 113.949 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.8 mt -154.2 140.37 18.47 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.702 1.201 . . . . 0.0 111.226 -168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -97.52 154.98 17.16 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.186 2.194 . . . . 0.0 110.275 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t -136.8 137.06 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.536 1.535 . . . . 0.0 108.936 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.3 t -140.45 164.88 28.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.25 1.02 . . . . 0.0 113.434 -173.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.9 11.11 8.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.886 2.474 . . . . 0.0 113.608 -172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.25 139.61 5.69 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 127.59 2.356 . . . . 0.0 111.711 171.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.78 150.7 83.34 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.666 2.244 . . . . 0.0 111.584 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -47.65 -37.65 13.22 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.729 1.612 . . . . 0.0 114.758 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -111.7 115.97 29.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.861 1.264 . . . . 0.0 110.078 172.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -162.03 161.44 28.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.517 1.127 . . . . 0.0 112.439 -171.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -142.94 173.33 11.64 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.736 1.614 . . . . 0.0 111.18 -175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -72.94 -44.33 8.33 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -74.74 -15.54 21.38 Favored 'Trans proline' 0 C--N 1.355 0.918 0 CA-C-N 122.058 1.771 . . . . 0.0 113.136 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -74.09 -25.28 59.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.684 0.794 . . . . 0.0 111.89 171.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 tp -88.85 -45.37 9.78 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.372 1.069 . . . . 0.0 111.071 173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 88.9 m -53.74 -44.35 69.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.455 1.502 . . . . 0.0 111.633 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.66 -15.34 61.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 74.3 mtp -75.14 -45.94 37.58 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.283 0.947 . . . . 0.0 111.3 171.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -77.75 -28.51 50.7 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.366 1.067 . . . . 0.0 112.248 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.42 -12.41 3.83 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -75.19 -13.75 60.48 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.677 -1.265 . . . . 0.0 113.549 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.26 -0.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -172.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.31 -177.82 39.14 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 119.155 0.888 . . . . 0.0 115.022 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -76.5 131.35 12.53 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.866 3.044 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.12 131.05 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.943 1.297 . . . . 0.0 108.899 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.81 -33.37 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 126.252 1.821 . . . . 0.0 111.696 -171.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -155.88 164.96 37.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.737 1.615 . . . . 0.0 110.292 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 p -161.64 142.8 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 127.071 2.148 . . . . 0.0 107.641 -173.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.03 128.71 19.23 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.399 0.679 . . . . 0.0 110.866 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 31.9 mm -128.23 134.82 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.656 1.583 . . . . 0.0 107.683 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.64 133.86 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 122.881 0.472 . . . . 0.0 110.564 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -130.38 146.05 51.89 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 110.983 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -146.44 -134.81 0.08 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.602 1.161 . . . . 0.0 112.856 -169.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.28 -34.11 71.88 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.948 -1.095 . . . . 0.0 113.283 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -152.47 114.03 4.31 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.04 1.336 . . . . 0.0 110.979 -176.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.25 -153.57 42.43 Favored Glycine 0 N--CA 1.472 1.038 0 C-N-CA 124.438 1.018 . . . . 0.0 113.365 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.0 p -80.67 147.73 30.52 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.265 -0.55 . . . . 0.0 110.955 169.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -61.29 -26.08 67.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.63 1.172 . . . . 0.0 112.424 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.35 12.18 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.922 1.725 . . . . 0.0 114.23 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -151.06 175.76 11.8 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.663 1.585 . . . . 0.0 112.73 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.54 -175.16 37.22 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.644 1.116 . . . . 0.0 115.489 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -139.62 164.87 28.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.265 1.826 . . . . 0.0 110.188 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.49 151.63 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.982 1.313 . . . . 0.0 110.94 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.6 m -137.51 136.1 37.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.654 1.582 . . . . 0.0 109.873 -169.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 91.6 mtp -135.7 156.04 49.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.595 1.558 . . . . 0.0 110.416 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -57.02 -35.8 69.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.292 1.037 . . . . 0.0 113.44 -169.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -136.88 146.14 53.73 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 125.169 1.387 . . . . 0.0 110.811 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.09 -28.89 40.67 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.815 2.343 . . . . 0.0 112.237 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.27 -19.56 63.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 113.619 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -91.67 -19.57 22.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.003 0.921 . . . . 0.0 112.529 172.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.93 -44.72 9.71 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.337 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.74 -20.22 20.9 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -63.89 -42.6 97.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.361 0.664 . . . . 0.0 111.775 171.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.72 60.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.48 1.112 . . . . 0.0 111.894 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.07 -49.23 69.51 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.774 0.829 . . . . 0.0 110.973 172.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.27 -17.03 64.19 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.2 -35.78 10.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.773 1.229 . . . . 0.0 113.407 -174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.54 17.4 19.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.032 1.333 . . . . 0.0 112.93 -169.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -112.59 132.89 54.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.548 1.139 . . . . 0.0 111.615 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.82 23.53 74.62 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.092 -0.838 . . . . 0.0 113.546 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.0 t -117.37 152.49 34.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.48 1.512 . . . . 0.0 111.981 -171.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.1 m -112.73 136.99 51.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.583 1.953 . . . . 0.0 109.577 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 46.7 mt -88.5 -91.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.92 109.16 3.75 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.543 1.537 . . . . 0.0 109.012 171.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 69.23 1.27 26.59 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.717 1.151 . . . . 0.0 115.42 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.37 151.19 36.11 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.953 2.501 . . . . 0.0 109.518 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -117.17 176.14 5.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 112.022 -173.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.54 143.18 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.928 1.291 . . . . 0.0 109.189 172.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.36 134.88 23.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.478 1.911 . . . . 0.0 107.914 -175.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 60.5 t -149.51 133.19 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.664 1.586 . . . . 0.0 109.503 -169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -161.0 165.37 29.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.621 1.168 . . . . 0.0 112.3 -174.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 97.6 mt -55.04 156.34 3.96 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.392 1.477 . . . . 0.0 112.614 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.23 169.93 16.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.836 1.255 . . . . 0.0 113.047 -172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 12.8 t -131.94 140.2 48.94 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.458 1.503 . . . . 0.0 110.367 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -82.52 168.7 17.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.942 0.877 . . . . 0.0 112.521 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.496 HH12 " H2'" ' C' ' 7' ' ' ' G' . 45.5 mtp180 -78.29 58.66 2.14 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -167.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.4 145.35 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 127.065 2.146 . . . . 0.0 109.97 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -77.6 -13.53 59.88 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -173.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -161.4 158.37 26.69 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.693 1.597 . . . . 0.0 112.891 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -148.29 156.67 42.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.474 1.91 . . . . 0.0 111.033 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -158.02 157.35 32.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.487 1.515 . . . . 0.0 112.544 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -162.55 157.37 22.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.994 1.718 . . . . 0.0 111.368 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' A' ' 185' ' ' PRO . 1.3 tpmt? -158.95 -38.31 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.123 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' A' ' 184' ' ' LYS . 50.9 Cg_exo -62.49 157.9 43.93 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 123.161 2.574 . . . . 0.0 113.094 175.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.0 tp -156.15 141.76 17.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.307 1.443 . . . . 0.0 110.213 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -143.15 153.03 42.45 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.772 1.629 . . . . 0.0 111.106 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 31.8 m -66.78 139.2 57.78 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 112.713 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.61 1.964 . . . . 0.0 111.801 -177.414 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 17.1 m -80.65 -9.44 59.79 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -172.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.2 t -165.27 163.66 20.04 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.784 2.033 . . . . 0.0 110.464 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -163.22 156.09 18.82 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.91 1.684 . . . . 0.0 112.504 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.47 166.93 21.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.41 1.084 . . . . 0.0 111.608 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -159.82 -41.19 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.965 0 CA-C-O 117.257 -1.354 . . . . 0.0 113.978 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -66.16 141.34 62.86 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.758 2.306 . . . . 0.0 112.476 177.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 m -148.53 144.03 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.098 1.759 . . . . 0.0 110.16 177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -165.66 142.22 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.26 1.424 . . . . 0.0 110.751 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.73 144.34 16.35 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.13 1.348 . . . . 0.0 112.185 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.7 p -163.47 142.52 8.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.174 1.39 . . . . 0.0 110.936 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 67.61 -34.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.908 2.483 . . . . 0.0 113.89 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -153.25 134.75 14.35 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.141 2.576 . . . . 0.0 108.964 173.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 49.2 m -136.83 133.89 36.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.152 1.781 . . . . 0.0 108.096 -175.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 35.5 ttm -149.19 24.88 0.91 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.07 0.16 10.22 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 20.7 p -106.15 2.48 27.05 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.227 2.211 . . . . 0.0 113.506 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -107.22 137.67 44.85 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.084 1.354 . . . . 0.0 112.74 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -139.65 126.03 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 125.147 1.379 . . . . 0.0 112.531 -167.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.27 150.24 42.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.715 2.006 . . . . 0.0 110.952 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 t -146.48 68.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.217 1.007 . . . . 0.0 110.247 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.24 32.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.911 1.243 . . . . 0.0 113.574 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.22 -98.81 1.25 Allowed Glycine 0 CA--C 1.532 1.118 0 CA-C-O 118.093 -1.393 . . . . 0.0 114.328 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.1 mt 50.99 176.87 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 126.914 2.086 . . . . 0.0 113.075 -176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.27 126.52 16.47 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 N-CA-C 103.391 -3.349 . . . . 0.0 103.391 161.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.412 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 11.5 t80 -67.41 -16.14 64.07 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.947 -1.095 . . . . 0.0 113.234 -167.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.06 11.77 25.55 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 127.751 2.42 . . . . 0.0 114.026 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -57.72 162.44 3.11 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.629 1.572 . . . . 0.0 113.637 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 92.9 p -89.18 159.15 17.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.313 1.045 . . . . 0.0 113.545 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.66 -25.21 66.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.775 0.83 . . . . 0.0 112.554 175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -79.45 -28.18 41.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 117.645 -1.169 . . . . 0.0 113.976 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 54.4 m -59.27 -56.81 17.36 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.101 1.319 . . . . 0.0 109.539 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.1 tp -43.45 -54.87 4.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 113.176 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -59.82 -45.41 92.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -67.04 -26.86 66.96 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.62 1.168 . . . . 0.0 112.829 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -76.95 -51.43 11.18 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.254 -0.904 . . . . 0.0 111.839 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.77 -13.79 61.01 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.03 -18.41 64.3 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.694 1.598 . . . . 0.0 112.688 170.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -84.89 1.69 46.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.535 1.134 . . . . 0.0 113.231 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -111.08 -9.9 14.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.41 -167.19 25.88 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 126.098 1.809 . . . . 0.0 111.853 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -73.23 140.14 46.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.763 0.825 . . . . 0.0 111.082 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -103.13 138.64 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 107.864 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -60.67 2.21 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 169.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -159.34 142.83 14.65 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.3 1.84 . . . . 0.0 109.632 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.72 130.95 42.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.242 1.417 . . . . 0.0 109.836 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 m -149.01 135.25 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.069 0.948 . . . . 0.0 113.067 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -89.94 102.68 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 167.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.283 0.0 OUTLIER -63.63 -16.23 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -166.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 77.1 p 26.76 -110.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 127.504 2.322 . . . . 0.0 113.926 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -157.91 122.97 4.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.74 2.016 . . . . 0.0 109.95 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -10.65 59.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -107.99 -29.55 8.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.823 1.249 . . . . 0.0 113.503 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.6 p -119.61 -20.11 7.84 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 64.73 14.64 9.24 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.46 1.904 . . . . 0.0 113.286 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -73.27 146.7 45.19 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.141 -0.974 . . . . 0.0 110.311 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -71.08 175.31 5.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.394 1.092 . . . . 0.0 113.068 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -145.58 -3.92 0.7 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.006 1.723 . . . . 0.0 111.948 -175.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.18 -33.97 1.1 Allowed Glycine 0 N--CA 1.473 1.11 0 C-N-CA 125.624 1.583 . . . . 0.0 114.245 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -100.45 141.7 32.94 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.27 176.72 16.83 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 127.055 2.264 . . . . 0.0 110.985 168.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -142.51 136.1 29.01 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.628 1.571 . . . . 0.0 110.877 -174.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.7 t -134.51 143.38 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.553 1.141 . . . . 0.0 109.77 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -131.73 134.73 46.19 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.372 1.469 . . . . 0.0 108.253 173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 94.2 mmm -112.92 154.56 26.2 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 -172.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -66.96 -37.87 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.93 158.85 32.56 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.075 1.35 . . . . 0.0 113.011 175.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -31.26 71.88 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.328 -1.305 . . . . 0.0 112.94 174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.59 57.96 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.497 1.499 . . . . 0.0 111.861 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.3 m -62.86 -40.1 96.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.626 0.37 . . . . 0.0 110.31 172.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.07 81.12 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 170.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.69 -45.08 90.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.788 1.176 . . . . 0.0 112.613 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -58.97 -37.17 76.17 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.393 1.077 . . . . 0.0 112.401 174.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.05 -26.17 61.19 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.666 0.786 . . . . 0.0 113.001 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 76.3 m -93.51 18.02 10.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.201 1.8 . . . . 0.0 113.249 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -46.07 -49.46 16.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.674 1.59 . . . . 0.0 112.531 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -127.0 152.1 75.12 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.59 1.556 . . . . 0.0 110.716 169.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.52 -0.37 8.81 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.569 2.846 . . . . 0.0 114.24 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -151.59 56.61 2.0 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.809 1.243 . . . . 0.0 112.039 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.53 137.09 53.32 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.886 2.39 . . . . 0.0 111.747 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm -72.79 125.7 32.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 168.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.63 122.21 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.43 26.35 12.47 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.387 1.475 . . . . 0.0 113.836 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.43 17.06 43.83 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.902 1.239 . . . . 0.0 115.372 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -146.39 137.6 24.43 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.792 1.296 . . . . 0.0 111.778 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -61.01 120.11 9.61 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.655 1.182 . . . . 0.0 112.781 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.33 116.15 30.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.84 1.256 . . . . 0.0 111.348 170.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -68.8 133.5 48.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.241 1.016 . . . . 0.0 111.883 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 73.5 t -135.86 150.63 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.441 1.496 . . . . 0.0 110.035 -172.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 176.54 164.38 0.44 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 128.201 2.601 . . . . 0.0 110.614 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.31 114.7 5.56 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.639 -0.663 . . . . 0.0 109.267 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.06 -18.01 55.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.627 1.971 . . . . 0.0 116.303 -169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -62.56 -6.47 3.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -169.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.65 -25.69 66.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.26 1.024 . . . . 0.0 110.953 167.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.69 -96.47 0.91 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 127.92 2.676 . . . . 0.0 109.791 168.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.95 151.13 0.06 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 130.066 3.346 . . . . 0.0 115.261 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -71.72 121.56 84.81 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 123.874 0.869 . . . . 0.0 110.602 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -76.36 178.42 7.55 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 124.065 3.177 . . . . 0.0 111.056 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 104.07 0.52 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 168.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 99.1 m -94.51 132.66 38.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.435 1.494 . . . . 0.0 110.867 -168.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -143.68 152.48 41.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.063 1.745 . . . . 0.0 110.617 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.63 179.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 127.177 2.191 . . . . 0.0 110.517 -175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.36 -19.03 65.77 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 47.7 tp -85.32 -29.81 24.22 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.835 1.254 . . . . 0.0 113.024 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 C-N-CA 126.7 2.0 . . . . 0.0 112.047 -174.168 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 O4'-C1'-C2' 101.657 -3.388 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 O5'-C5'-C4' 113.772 2.551 . 0.011 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 1 O4'-C1'-N19 113.046 4.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C3'-C2'-C1' 103.116 1.796 . 0.158 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 112.031 3.831 . 0.229 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 1 O4'-C1'-N19 113.878 5.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.496 " H2'" HH12 ' A' ' 177' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 1.948 2 O4'-C1'-N19 115.963 7.763 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 117.448 9.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 C3'-C2'-C1' 104.061 2.846 . 0.465 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.322 2 O4'-C1'-N19 114.024 5.824 . 0.257 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 1 C5'-C4'-C3' 109.359 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 O4'-C1'-N19 111.289 3.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.19 -10.47 30.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.225 1.41 . . . . 0.0 114.47 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.12 159.42 31.19 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.584 1.087 . . . . 0.0 113.428 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.2 154.26 56.83 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 124.048 3.165 . . . . 0.0 111.576 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -76.6 2.73 13.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -61.09 158.83 12.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.922 0.889 . . . . 0.0 111.622 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.9 mt -138.02 143.02 40.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.788 1.635 . . . . 0.0 109.708 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -99.34 152.85 19.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.344 2.258 . . . . 0.0 109.655 169.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.24 138.57 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.499 1.52 . . . . 0.0 108.244 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -145.68 164.35 32.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.267 1.027 . . . . 0.0 112.572 -173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.98 19.56 11.24 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.854 2.062 . . . . 0.0 112.502 -172.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.0 mt -55.18 142.36 58.28 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.993 2.117 . . . . 0.0 110.792 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -69.11 156.21 65.74 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.839 2.359 . . . . 0.0 111.955 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 2.5 m-30 -48.24 -45.31 34.09 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.184 1.394 . . . . 0.0 114.131 176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -101.63 109.41 21.2 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.617 1.167 . . . . 0.0 110.361 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -164.65 149.5 9.66 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.145 0.978 . . . . 0.0 112.491 -169.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -139.51 170.5 15.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.823 1.649 . . . . 0.0 110.785 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -66.37 -35.92 11.38 Favored Pre-proline 0 CA--C 1.549 0.911 0 O-C-N 120.804 -1.185 . . . . 0.0 113.171 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -66.95 -17.85 51.78 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 123.188 2.592 . . . . 0.0 114.613 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -81.03 -18.6 46.2 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.557 0.617 . . . . 0.0 111.794 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 tp -97.99 -49.39 4.79 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.122 1.369 . . . . 0.0 111.466 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.6 m -52.38 -43.83 64.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.262 1.425 . . . . 0.0 111.56 -175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.96 -12.4 59.59 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 81.8 mtp -77.69 -50.15 13.04 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.527 1.058 . . . . 0.0 110.485 169.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -70.1 -31.75 69.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.26 1.024 . . . . 0.0 111.407 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -55.98 -18.08 8.38 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 169.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -73.7 -15.44 61.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.585 -1.322 . . . . 0.0 113.597 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.49 -7.33 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.34 176.1 42.46 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 119.419 1.009 . . . . 0.0 113.747 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.46 143.36 57.29 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.214 2.61 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.78 132.96 57.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.644 1.178 . . . . 0.0 108.907 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.38 -27.11 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.88 1.672 . . . . 0.0 112.452 -168.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -158.26 164.64 36.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.075 1.35 . . . . 0.0 110.93 174.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.04 146.72 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 126.247 1.819 . . . . 0.0 109.499 -172.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -151.25 130.48 12.76 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.552 1.141 . . . . 0.0 111.016 -172.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.3 mm -124.0 132.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.81 150.27 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 118.218 0.463 . . . . 0.0 109.978 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.67 164.97 23.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.918 1.287 . . . . 0.0 112.446 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -150.99 -170.98 3.81 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.831 1.652 . . . . 0.0 110.307 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.12 -9.9 5.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -149.16 106.33 3.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.512 1.525 . . . . 0.0 110.287 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.74 -163.73 46.7 Favored Glycine 0 N--CA 1.47 0.957 0 C-N-CA 125.513 1.53 . . . . 0.0 114.646 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.1 p -69.56 145.93 52.19 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 122.353 -0.499 . . . . 0.0 110.638 170.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.79 -28.91 69.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.485 1.114 . . . . 0.0 112.366 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 119.43 10.85 7.66 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.423 1.487 . . . . 0.0 114.165 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -156.4 171.11 20.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.329 1.851 . . . . 0.0 111.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.47 -168.1 29.12 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.281 0.943 . . . . 0.0 115.007 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -142.81 165.84 26.27 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.664 1.986 . . . . 0.0 110.47 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.77 148.62 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.058 1.343 . . . . 0.0 110.516 -177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.4 m -137.92 137.62 38.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.737 1.215 . . . . 0.0 109.66 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 58.4 mtp -123.07 168.81 11.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.09 1.356 . . . . 0.0 113.449 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 137.07 37.87 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 167.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 74.14 117.92 0.03 OUTLIER Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 129.314 3.046 . . . . 0.0 111.623 -170.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.83 -20.28 39.69 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.431 2.087 . . . . 0.0 112.368 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -76.77 -29.64 56.18 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.389 1.076 . . . . 0.0 112.592 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -83.54 -32.15 26.02 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.109 0.963 . . . . 0.0 111.91 173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.65 -20.38 64.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.817 0.847 . . . . 0.0 112.313 168.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -91.41 -27.33 18.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.986 0.515 . . . . 0.0 112.241 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -63.56 -44.37 94.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.013 0.824 . . . . 0.0 111.482 170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.47 -45.77 85.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.926 -0.484 . . . . 0.0 111.727 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -58.47 -37.98 76.61 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.159 1.383 . . . . 0.0 112.934 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -77.54 -18.64 56.78 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.77 -62.81 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.473 1.109 . . . . 0.0 111.053 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.37 13.17 2.53 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -110.69 122.92 48.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.88 1.272 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 81.09 17.35 72.29 Favored Glycine 0 CA--C 1.534 1.255 0 CA-C-O 119.145 -0.808 . . . . 0.0 114.08 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.0 t -105.56 171.54 7.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.932 1.693 . . . . 0.0 110.638 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 99.4 m -138.81 134.76 33.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.841 2.056 . . . . 0.0 109.617 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.3 mt -94.95 -72.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.786 0.835 . . . . 0.0 110.166 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -158.73 107.15 1.91 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.052 1.341 . . . . 0.0 109.814 177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 65.45 6.22 26.85 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.475 1.036 . . . . 0.0 114.802 -175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -147.73 125.61 11.97 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.381 1.872 . . . . 0.0 110.913 -169.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.18 171.1 11.62 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.048 1.339 . . . . 0.0 111.332 170.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.81 140.43 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.115 1.766 . . . . 0.0 108.516 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.37 133.74 26.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.232 1.413 . . . . 0.0 109.368 -174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.5 t -150.01 134.53 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.874 1.67 . . . . 0.0 109.74 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -160.72 166.59 28.49 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.829 1.252 . . . . 0.0 112.043 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.9 mt -52.49 149.88 5.41 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.046 1.338 . . . . 0.0 112.753 173.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -121.87 165.58 15.7 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.275 1.03 . . . . 0.0 113.689 -177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 8.9 t -145.94 179.79 7.23 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.448 1.499 . . . . 0.0 111.905 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -68.55 169.01 11.75 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.847 1.259 . . . . 0.0 112.114 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -80.67 56.86 2.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -166.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 14.3 m -146.76 165.05 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 126.648 1.979 . . . . 0.0 111.969 -172.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -126.55 4.22 6.84 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.219 1.407 . . . . 0.0 114.04 174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.17 160.47 31.14 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.578 176.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.71 -16.6 44.34 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -95.24 -32.69 12.9 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -91.99 131.94 36.91 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.3 1.04 . . . . 0.0 112.405 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -143.76 140.47 17.32 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.675 1.59 . . . . 0.0 111.221 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 141.62 32.68 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.481 2.787 . . . . 0.0 110.594 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 56.2 tp -161.75 143.23 11.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.47 1.508 . . . . 0.0 110.149 -175.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.57 131.93 47.59 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.969 0.907 . . . . 0.0 111.423 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 16.2 t -162.33 147.4 12.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.413 1.485 . . . . 0.0 110.592 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.483 1.195 0 C-N-CA 126.635 1.974 . . . . 0.0 112.887 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.094 -0.403 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -163.27 169.22 19.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.484 1.514 . . . . 0.0 111.159 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 17.2 m -161.1 133.13 5.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.215 2.206 . . . . 0.0 108.582 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -70.45 125.65 27.42 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.838 0.855 . . . . 0.0 111.578 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.12 -13.2 53.59 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -84.07 140.86 39.99 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 124.126 0.97 . . . . 0.0 111.044 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.27 -29.55 63.92 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.386 2.724 . . . . 0.0 115.054 176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t 69.98 107.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 127.511 2.324 . . . . 0.0 111.07 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.7 t -145.9 135.21 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.547 1.539 . . . . 0.0 109.253 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.31 -157.2 23.63 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.939 1.257 . . . . 0.0 113.563 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -164.38 166.2 20.91 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.449 1.1 . . . . 0.0 112.64 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 -161.12 128.66 4.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.174 1.79 . . . . 0.0 109.498 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -161.09 -158.39 0.58 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.015 1.726 . . . . 0.0 110.039 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 60.0 m -81.33 88.0 6.12 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.558 1.143 . . . . 0.0 108.43 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -11.04 60.47 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -70.18 -9.54 56.05 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 39.8 p -98.74 -3.5 35.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.697 1.599 . . . . 0.0 114.073 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -114.77 143.81 44.49 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.716 1.606 . . . . 0.0 111.485 -171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -148.32 120.3 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.945 0.898 . . . . 0.0 112.092 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -82.03 120.54 25.4 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.356 1.462 . . . . 0.0 108.473 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 51.5 t -122.97 98.85 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.506 0.722 . . . . 0.0 110.539 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.31 51.33 3.9 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 117.969 -1.461 . . . . 0.0 116.322 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.54 -152.43 28.43 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 120.622 2.211 . . . . 0.0 113.818 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 39.8 mt 71.55 151.49 0.14 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 127.452 2.301 . . . . 0.0 114.885 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -57.5 0.34 0.27 Allowed 'Trans proline' 0 CA--C 1.545 1.037 1 C-N-CA 125.51 4.14 . . . . 0.0 117.47 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 2.1 t80 77.31 -61.89 0.41 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.786 2.834 . . . . 0.0 110.1 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -75.47 94.66 3.15 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -158.59 154.22 26.22 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.468 1.507 . . . . 0.0 110.632 -166.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 12.7 t -89.27 156.83 18.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 122.12 0.962 . . . . 0.0 112.618 171.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.51 -14.07 60.05 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -26.62 64.2 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 37.5 p -55.28 -56.66 17.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.261 1.424 . . . . 0.0 112.144 -170.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -50.33 -50.83 49.82 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.186 1.394 . . . . 0.0 113.035 173.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 -33.47 75.92 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 121.364 -0.835 . . . . 0.0 112.777 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -72.68 -19.14 61.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.184 0.993 . . . . 0.0 113.009 173.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -87.88 -47.8 8.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.242 1.017 . . . . 0.0 113.014 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -76.24 -6.54 51.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -170.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.95 -8.61 55.46 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -69.95 -14.62 62.8 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.044 -1.035 . . . . 0.0 113.065 170.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -103.0 -10.19 19.16 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.132 1.373 . . . . 0.0 113.825 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.28 -145.26 13.33 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.757 1.646 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -96.91 135.62 38.63 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.017 1.327 . . . . 0.0 109.795 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.3 129.59 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.5 -57.26 6.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.674 0.79 . . . . 0.0 109.404 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.02 145.73 12.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.233 1.813 . . . . 0.0 108.928 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.59 144.93 34.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.029 0.932 . . . . 0.0 110.924 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -146.58 149.35 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.338 1.455 . . . . 0.0 111.294 -169.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.22 132.0 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.311 . . . . 0.0 107.971 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.71 132.42 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 122.173 0.987 . . . . 0.0 111.443 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -148.2 137.75 22.25 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 127.813 2.445 . . . . 0.0 109.216 -169.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.68 134.95 57.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -58.39 -23.4 57.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.727 1.611 . . . . 0.0 114.982 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -112.7 -38.55 4.56 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.92 1.288 . . . . 0.0 113.449 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 42.0 p -108.79 -19.32 13.45 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 66.69 13.51 9.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.385 2.274 . . . . 0.0 114.283 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.26 145.37 54.32 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.315 170.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -59.95 151.26 26.58 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -103.61 -5.4 22.69 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.248 1.419 . . . . 0.0 112.251 173.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.58 38.9 36.37 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.252 0.929 . . . . 0.0 114.201 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -172.93 159.45 4.06 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.273 1.829 . . . . 0.0 112.397 174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.1 174.53 22.4 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.141 1.353 . . . . 0.0 113.956 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.14 136.64 48.51 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 126.148 1.779 . . . . 0.0 109.969 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -124.84 141.54 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 108.64 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.7 m -133.96 128.7 34.99 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.149 1.38 . . . . 0.0 108.122 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 91.3 mmm -106.9 151.51 25.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.381 1.073 . . . . 0.0 112.078 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.45 -34.93 78.84 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -130.22 158.36 39.96 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.289 1.435 . . . . 0.0 112.051 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -59.27 -33.24 70.83 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.45 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.2 97.18 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.104 1.32 . . . . 0.0 111.013 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 17.8 m -67.14 -22.95 65.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.484 0.714 . . . . 0.0 112.817 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.55 27.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -63.67 -40.87 97.91 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.371 1.068 . . . . 0.0 111.439 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -64.3 -33.55 76.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.511 1.124 . . . . 0.0 112.892 172.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.64 -28.1 60.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.395 1.078 . . . . 0.0 112.51 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 70.9 m -91.13 21.48 4.28 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.64 1.976 . . . . 0.0 113.149 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -64.64 -46.99 80.16 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.73 0.812 . . . . 0.0 111.744 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -110.46 140.66 22.73 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.427 1.491 . . . . 0.0 111.438 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -86.64 -14.83 4.33 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.728 2.952 . . . . 0.0 113.451 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -152.4 72.06 7.57 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.876 1.67 . . . . 0.0 110.678 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -93.25 148.3 2.42 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.306 2.67 . . . . 0.0 112.942 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.15 128.4 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.009 0.924 . . . . 0.0 109.313 165.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 53.0 mt -138.41 116.78 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 60.12 22.69 11.95 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.148 1.779 . . . . 0.0 114.003 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.25 9.05 45.75 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.001 1.286 . . . . 0.0 115.63 174.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -142.79 138.72 30.61 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 118.874 1.337 . . . . 0.0 111.066 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -74.59 131.76 41.21 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.74 -162.88 0.99 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.996 1.719 . . . . 0.0 113.324 -172.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -153.81 124.26 7.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.61 1.964 . . . . 0.0 107.876 174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 87.3 t -122.59 137.83 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.321 1.449 . . . . 0.0 110.699 -167.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -168.74 167.62 11.09 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.136 2.174 . . . . 0.0 110.555 173.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.35 19.62 0.13 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.78 -32.7 0.22 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 130.484 3.513 . . . . 0.0 115.769 174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -65.96 -2.76 4.26 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -60.9 -27.5 68.22 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.674 0.79 . . . . 0.0 109.897 165.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -124.34 -104.78 1.61 Allowed Glycine 0 CA--C 1.535 1.285 0 C-N-CA 128.17 2.795 . . . . 0.0 109.182 167.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 140.76 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 130.773 3.629 . . . . 0.0 114.795 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.53 148.58 96.41 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 121.204 -0.935 . . . . 0.0 110.237 168.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -55.93 132.81 54.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.244 2.63 . . . . 0.0 110.446 172.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -69.4 126.64 30.39 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.248 0.547 . . . . 0.0 112.209 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 7.4 t -141.16 3.11 1.75 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.401 1.88 . . . . 0.0 112.912 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -83.0 4.44 25.98 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.996 1.319 . . . . 0.0 114.223 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 66.6 t -144.54 136.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 127.489 2.315 . . . . 0.0 107.895 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -158.44 151.73 22.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.063 1.345 . . . . 0.0 110.779 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.11 1.94 28.88 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.738 1.215 . . . . 0.0 113.382 -175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.384 0 C-N-CA 127.216 2.206 . . . . 0.0 111.421 -177.42 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.597 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.347 3.147 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O5'-C5'-C4' 114.212 2.866 . 0.32 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 1 O4'-C1'-N19 112.995 4.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.474 0 C5'-C4'-C3' 110.558 -3.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.655 4.455 . 0.272 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 2 C5'-C4'-C3' 107.262 -5.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.675 6.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 104.536 3.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 1 O4'-C1'-N19 113.704 5.504 . 0.259 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.932 0 O4'-C1'-N19 111.926 3.726 . 0.403 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 1 O4'-C1'-N19 112.278 4.078 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -158.5 125.36 4.83 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.0 1.32 . . . . 0.0 111.248 -176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 41.98 77.63 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 116.884 -2.064 . . . . 0.0 115.9 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.25 -30.28 20.24 Favored 'Trans proline' 0 C--N 1.356 0.926 0 CA-C-N 121.458 2.629 . . . . 0.0 114.215 -170.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 61.79 7.9 2.18 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.081 1.752 . . . . 0.0 115.58 173.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -140.22 142.61 35.82 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.944 1.698 . . . . 0.0 110.024 -174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.9 mt -129.59 146.05 51.43 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.333 1.853 . . . . 0.0 108.961 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -94.09 148.36 22.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.203 1.801 . . . . 0.0 109.219 167.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -132.6 135.73 57.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 125.283 1.433 . . . . 0.0 108.068 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -142.4 162.13 36.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.467 1.107 . . . . 0.0 112.541 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.37 15.41 9.47 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.282 1.833 . . . . 0.0 112.605 -170.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.43 144.31 9.05 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.133 2.173 . . . . 0.0 110.963 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.53 167.26 25.96 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.787 2.324 . . . . 0.0 112.272 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 11.4 m-30 -74.05 162.47 28.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.686 0.795 . . . . 0.0 111.657 168.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.279 23.1 pttp 48.65 36.35 7.58 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.607 2.363 . . . . 0.0 114.602 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -91.24 162.88 14.45 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.317 1.447 . . . . 0.0 113.249 -173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -143.38 167.92 21.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.648 1.579 . . . . 0.0 111.319 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.05 -41.06 6.33 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.08 -13.84 28.81 Favored 'Trans proline' 0 C--N 1.355 0.889 0 CA-C-N 122.343 1.873 . . . . 0.0 113.358 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -82.07 -23.7 35.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.14 0.976 . . . . 0.0 111.941 171.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.2 tp -86.16 -39.38 16.73 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.436 1.095 . . . . 0.0 110.611 172.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 85.5 m -54.69 -45.35 73.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.515 1.526 . . . . 0.0 111.069 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.09 -11.16 60.54 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 77.0 mtp -74.3 -48.13 30.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.502 1.046 . . . . 0.0 110.594 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -84.56 -30.03 25.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.884 0.873 . . . . 0.0 113.035 -175.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -58.45 -16.08 13.57 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.36 -13.49 62.17 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 155' ' ' ALA . 33.0 m -130.54 -19.03 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.46 169.67 41.4 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 119.539 1.063 . . . . 0.0 113.502 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.04 126.67 10.09 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.98 2.453 . . . . 0.0 111.507 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.7 t -82.86 125.26 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.496 1.518 . . . . 0.0 109.107 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.8 t -97.36 -29.53 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.445 1.498 . . . . 0.0 111.514 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -159.71 165.4 32.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.744 1.618 . . . . 0.0 110.783 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.2 p -158.61 143.58 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 126.733 2.013 . . . . 0.0 108.181 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -153.14 130.28 11.15 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -168.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 50.0 mm -121.79 133.23 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.698 1.599 . . . . 0.0 107.391 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.5 mm -90.31 151.14 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 122.048 -0.407 . . . . 0.0 110.021 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -131.31 163.61 27.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.893 1.277 . . . . 0.0 111.989 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -149.78 -168.6 3.15 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.117 1.367 . . . . 0.0 110.638 -177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.23 -13.4 4.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -145.65 108.42 4.51 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.535 1.534 . . . . 0.0 110.02 169.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.52 -162.3 37.62 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.036 1.303 . . . . 0.0 115.692 169.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 32.9 p -74.28 138.59 43.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.72 0.808 . . . . 0.0 110.87 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.39 16.31 0.36 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.822 2.049 . . . . 0.0 114.106 -170.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.61 64.62 Favored Glycine 0 CA--C 1.542 1.745 0 O-C-N 120.836 -1.165 . . . . 0.0 115.983 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.01 167.89 28.26 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.792 1.796 . . . . 0.0 113.633 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.72 -168.99 29.74 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.888 1.232 . . . . 0.0 115.006 -176.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -142.32 166.04 25.77 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.868 2.067 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.0 p -157.02 150.15 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.845 1.258 . . . . 0.0 110.902 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 33.2 m -134.07 138.41 45.29 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.214 1.806 . . . . 0.0 110.431 -170.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.4 mtp -140.54 157.58 45.27 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.938 1.695 . . . . 0.0 110.526 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.83 -14.14 62.34 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -147.83 150.23 35.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 126.49 1.916 . . . . 0.0 109.578 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.43 -29.37 31.32 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.571 2.181 . . . . 0.0 111.818 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -74.41 -20.41 60.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.848 1.259 . . . . 0.0 113.369 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -80.07 -14.99 58.1 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.581 0.752 . . . . 0.0 112.35 171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.92 -41.19 8.92 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.037 1.335 . . . . 0.0 111.381 173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -43.13 -42.15 3.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.274 1.83 . . . . 0.0 114.933 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -73.43 -13.55 61.09 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 123' ' ' VAL . . . -92.48 -44.07 8.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.21 1.404 . . . . 0.0 110.94 168.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -55.76 -33.8 64.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.097 0.959 . . . . 0.0 112.41 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.59 -18.45 64.9 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.31 -56.11 2.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.118 1.367 . . . . 0.0 110.646 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.2 1.67 17.74 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -104.9 127.45 52.74 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 119.034 0.834 . . . . 0.0 111.729 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 78.34 28.33 55.91 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 119.388 -0.673 . . . . 0.0 113.46 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.0 t -123.97 171.72 9.5 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.683 1.593 . . . . 0.0 111.602 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 80.9 m -143.41 134.75 26.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.01 2.124 . . . . 0.0 109.381 -172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.7 -75.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.734 0.814 . . . . 0.0 109.252 177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -159.03 112.83 2.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.522 . . . . 0.0 109.234 173.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 66.54 5.01 27.64 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.214 0.911 . . . . 0.0 115.249 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 38.7 ttm105 -153.37 127.08 8.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.292 1.837 . . . . 0.0 110.216 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.5 mtm105 -78.06 172.83 12.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.671 1.588 . . . . 0.0 111.88 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 6.7 t -139.31 138.91 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.395 1.878 . . . . 0.0 108.494 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.01 142.82 34.2 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.282 1.433 . . . . 0.0 110.023 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.87 132.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.753 1.621 . . . . 0.0 108.984 -172.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -155.81 164.9 37.95 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.519 1.128 . . . . 0.0 112.062 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.92 139.69 16.75 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.089 0.955 . . . . 0.0 112.344 176.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 177.37 8.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.158 0.583 . . . . 0.0 111.773 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 14.4 t -137.21 134.75 36.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.343 1.057 . . . . 0.0 110.287 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.26 144.06 48.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.07 0.948 . . . . 0.0 109.942 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -75.29 28.65 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.175 0.99 . . . . 0.0 113.532 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 7.5 p -172.15 149.01 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.127 2.571 . . . . 0.0 109.277 -168.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -57.68 141.0 49.91 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.727 1.211 . . . . 0.0 112.971 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -155.44 138.56 15.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.6 1.16 . . . . 0.0 111.695 -176.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -161.72 174.12 13.7 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.227 1.811 . . . . 0.0 112.055 -176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -127.5 157.32 40.4 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.432 1.493 . . . . 0.0 111.995 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -158.46 177.25 11.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.038 1.735 . . . . 0.0 111.666 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 145.0 68.29 Favored Pre-proline 0 CA--C 1.556 1.18 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.38 160.41 44.79 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.555 2.837 . . . . 0.0 111.867 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.0 tp -157.06 123.87 5.09 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.641 1.577 . . . . 0.0 109.463 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 92.2 mmm 68.12 164.9 0.23 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.372 2.269 . . . . 0.0 113.11 -171.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 9.5 t -162.58 160.06 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.349 1.459 . . . . 0.0 111.132 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.783 2.033 . . . . 0.0 111.999 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.5 m -61.66 -19.04 61.88 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -54.82 -18.39 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.816 2.046 . . . . 0.0 114.128 169.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -74.37 -17.05 60.87 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.485 1.114 . . . . 0.0 113.876 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.2 -13.39 0.47 Allowed 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -171.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.35 -47.31 2.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -81.2 37.92 0.72 Allowed 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.184 2.589 . . . . 0.0 113.088 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.13 46.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.703 1.601 . . . . 0.0 112.132 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.4 m -147.51 151.09 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.735 2.014 . . . . 0.0 111.017 -172.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.29 170.71 42.92 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.555 1.074 . . . . 0.0 114.019 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 39.6 m -75.09 157.32 34.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.531 1.132 . . . . 0.0 113.306 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -65.97 154.07 40.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.097 0.959 . . . . 0.0 113.068 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -144.8 31.75 1.16 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.6 1.96 . . . . 0.0 110.586 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 17.7 p -105.06 141.36 36.76 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.656 1.982 . . . . 0.0 111.697 -171.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.25 170.65 16.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.018 1.727 . . . . 0.0 112.945 177.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -63.65 146.95 52.8 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.692 0.797 . . . . 0.0 111.097 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -112.67 5.32 17.66 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.279 1.432 . . . . 0.0 114.102 -168.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -55.73 147.02 19.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.472 1.509 . . . . 0.0 114.429 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.88 124.01 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 128.019 2.528 . . . . 0.0 108.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -82.79 117.58 22.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.441 1.096 . . . . 0.0 109.495 169.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.95 91.34 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.002 0.921 . . . . 0.0 110.413 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.17 60.67 4.46 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.9 -0.944 . . . . 0.0 115.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.19 -135.43 7.06 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 119.203 1.501 . . . . 0.0 112.462 177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.8 mt 73.2 137.77 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 128.03 2.532 . . . . 0.0 115.889 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -57.82 -8.55 4.56 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 124.752 3.635 . . . . 0.0 115.366 166.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 102.47 -44.77 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.623 3.569 . . . . 0.0 113.055 168.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -78.29 -0.5 29.0 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.765 1.226 . . . . 0.0 114.084 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.433 HG22 ' H ' ' B' ' 47' ' ' SER . 0.3 OUTLIER -73.36 177.69 5.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 129.595 3.158 . . . . 0.0 113.031 -169.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.433 ' H ' HG22 ' B' ' 46' ' ' THR . 97.2 p -147.88 173.99 12.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.667 1.587 . . . . 0.0 111.755 178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.67 -8.39 10.05 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.05 -8.7 17.43 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.228 1.011 . . . . 0.0 113.11 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.3 p -94.95 -72.32 0.63 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.195 1.798 . . . . 0.0 108.643 168.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -38.73 -55.56 1.46 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.367 2.267 . . . . 0.0 114.951 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.25 -25.48 66.9 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.323 -0.86 . . . . 0.0 112.927 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.38 -10.55 51.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.464 1.506 . . . . 0.0 112.446 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -95.76 -46.03 6.75 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.453 1.101 . . . . 0.0 112.224 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.97 -8.87 58.72 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -8.79 50.09 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 170.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -70.32 -17.11 63.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.136 0.974 . . . . 0.0 112.54 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -104.53 -11.63 16.9 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.794 1.238 . . . . 0.0 114.012 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.21 -147.97 18.7 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.641 1.591 . . . . 0.0 113.076 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.05 141.35 28.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.06 1.344 . . . . 0.0 109.943 175.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.7 mt -102.92 128.28 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -56.87 10.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.365 1.066 . . . . 0.0 109.315 173.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -163.18 143.91 9.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.794 2.038 . . . . 0.0 107.95 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.17 142.12 32.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.202 1.001 . . . . 0.0 110.719 174.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -149.41 154.5 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.045 1.338 . . . . 0.0 111.538 -169.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.76 133.14 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.228 1.411 . . . . 0.0 108.042 173.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.27 134.38 29.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.187 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 41.3 p -150.08 149.75 30.74 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.633 1.973 . . . . 0.0 110.635 -169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.35 105.28 4.03 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.285 0.634 . . . . 0.0 110.151 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.74 -14.28 51.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.7 -13.86 16.32 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.013 1.325 . . . . 0.0 113.825 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 65.2 p -135.6 -10.66 2.12 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 72.66 16.76 4.66 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.925 2.49 . . . . 0.0 114.628 169.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 138.45 38.0 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.101 -0.999 . . . . 0.0 111.414 170.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 51.1 m -88.56 166.96 13.8 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.351 1.06 . . . . 0.0 113.698 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -135.68 145.56 46.86 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.076 1.75 . . . . 0.0 110.109 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -75.47 50.32 2.44 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.727 1.632 . . . . 0.0 115.709 -171.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -170.57 153.62 4.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.707 2.003 . . . . 0.0 112.942 171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.47 168.87 22.95 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.581 1.562 . . . . 0.0 113.148 174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -121.22 138.24 54.31 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.591 1.557 . . . . 0.0 109.85 176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 94.2 t -128.81 141.66 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.316 1.446 . . . . 0.0 108.819 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 22.9 m -137.94 139.21 39.65 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.599 1.559 . . . . 0.0 107.482 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 89.6 mmm -115.94 146.32 42.18 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.206 1.003 . . . . 0.0 112.38 -169.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -59.23 -35.4 73.58 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -133.74 160.0 38.9 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.642 1.577 . . . . 0.0 111.795 169.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -61.21 -37.33 82.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.26 81.62 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 111.517 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 31.6 m -68.62 -23.07 64.4 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.593 0.757 . . . . 0.0 113.032 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.01 -32.52 22.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.999 . . . . 0.0 112.463 169.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.25 -36.24 82.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.253 1.021 . . . . 0.0 111.487 174.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -67.25 -33.57 75.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.944 1.297 . . . . 0.0 113.027 169.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.34 -30.7 64.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.438 0.695 . . . . 0.0 112.011 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 73.6 m -87.75 23.09 2.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.494 1.918 . . . . 0.0 113.117 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -66.11 -43.56 86.85 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.79 0.836 . . . . 0.0 111.704 176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -119.77 142.18 32.57 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.573 1.549 . . . . 0.0 111.23 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -86.77 -8.11 7.11 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.814 3.009 . . . . 0.0 113.575 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -152.21 60.79 3.69 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 125.871 1.668 . . . . 0.0 111.011 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.73 154.35 54.16 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.431 2.754 . . . . 0.0 111.364 -177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 24.0 mm -78.85 127.4 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 169.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 41.3 mt -133.55 122.14 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.7 t70 56.49 24.49 8.66 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.467 1.507 . . . . 0.0 113.845 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.45 9.06 58.13 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.401 1.477 . . . . 0.0 115.459 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -133.75 134.99 43.63 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.004 1.402 . . . . 0.0 111.839 -178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -62.55 115.78 4.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.844 0.857 . . . . 0.0 112.253 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.54 -160.36 0.6 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.128 1.771 . . . . 0.0 112.053 173.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -153.93 136.87 15.42 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.599 1.959 . . . . 0.0 108.47 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 52.7 t -130.37 136.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.745 1.218 . . . . 0.0 110.342 -169.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -165.13 149.78 9.04 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.6 1.96 . . . . 0.0 110.62 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.23 138.37 58.41 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 169.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.98 79.5 8.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.617 0.767 . . . . 0.0 111.687 -174.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -137.42 0.51 2.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 172.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -82.15 68.04 8.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.907 1.683 . . . . 0.0 110.925 -176.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.26 76.64 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.759 1.171 . . . . 0.0 112.97 -172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.67 161.8 28.98 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.987 1.715 . . . . 0.0 114.805 -169.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.06 139.29 92.77 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.075 0.95 . . . . 0.0 112.586 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.59 149.6 66.22 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.746 2.964 . . . . 0.0 112.22 171.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -80.74 136.08 36.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.869 0.868 . . . . 0.0 110.134 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 24.4 m -52.81 129.08 28.86 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.536 1.934 . . . . 0.0 112.034 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -161.93 159.06 26.16 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.864 1.666 . . . . 0.0 111.592 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.05 178.23 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.512 1.925 . . . . 0.0 110.712 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -59.48 126.35 27.26 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.505 -0.747 . . . . 0.0 110.287 175.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 46.0 mt 70.99 7.37 6.19 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.086 2.154 . . . . 0.0 114.443 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.515 1.526 . . . . 0.0 112.245 177.357 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.45 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 C5'--C4' 1.539 2.234 2 C3'-C2'-C1' 97.737 -4.181 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 0 C4'-C3'-C2' 99.732 -2.968 . 0.326 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.931 4.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 O5'-C5'-C4' 112.851 1.893 . 0.196 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O5'-C5'-C4' 117.005 4.861 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.101 1 O4'-C1'-N19 115.564 7.364 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.705 1 O4'-C1'-N19 115.134 6.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.915 2.683 . 0.191 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 1 O4'-C1'-N19 112.714 4.514 . 0.767 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C5'-C4'-C3' 109.578 -3.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.344 0 O5'-C5'-C4' 115.228 3.591 . 0.01 2z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.35 -28.89 57.02 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.933 0.893 . . . . 0.0 113.318 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.16 157.77 15.39 Favored Glycine 0 CA--C 1.541 1.677 0 C-N-CA 125.439 1.495 . . . . 0.0 112.5 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -69.18 145.5 60.73 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.703 2.935 . . . . 0.0 111.749 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -122.78 11.94 9.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.601 1.561 . . . . 0.0 113.194 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -161.94 145.62 12.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.67 1.588 . . . . 0.0 110.409 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.38 149.51 52.34 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.772 2.029 . . . . 0.0 108.819 170.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -102.7 150.05 23.84 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.778 2.031 . . . . 0.0 109.823 171.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.3 t -130.97 134.58 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.336 1.454 . . . . 0.0 107.926 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -132.58 161.43 33.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.144 0.977 . . . . 0.0 113.001 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.7 t30 64.87 14.22 9.08 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.238 2.215 . . . . 0.0 113.624 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.37 146.38 16.79 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 126.998 2.119 . . . . 0.0 112.717 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.89 151.88 74.43 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.195 2.596 . . . . 0.0 113.685 177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -67.12 140.04 57.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.043 0.537 . . . . 0.0 110.287 166.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt 69.79 11.01 7.74 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 -177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.6 162.75 20.29 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.663 1.185 . . . . 0.0 112.122 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -127.46 163.55 23.84 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.267 1.027 . . . . 0.0 112.325 -169.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -68.25 -45.52 38.91 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-O 117.197 -1.382 . . . . 0.0 113.396 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.86 -14.73 29.72 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.257 1.972 . . . . 0.0 114.029 174.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -79.65 -25.76 41.26 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.08 0.552 . . . . 0.0 111.79 169.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.5 tp -84.33 -46.16 12.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.872 0.869 . . . . 0.0 111.029 173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.9 m -52.76 -43.11 65.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.15 1.78 . . . . 0.0 111.387 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.9 -17.25 61.45 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 66.3 mtp -74.51 -50.46 18.08 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.329 0.968 . . . . 0.0 110.632 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -67.66 -33.18 74.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.513 0.725 . . . . 0.0 111.493 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.04 -13.93 5.64 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -73.94 -14.11 61.0 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.402 -1.436 . . . . 0.0 113.803 171.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.07 -23.87 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -167.23 169.37 40.97 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 120.32 1.418 . . . . 0.0 114.54 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -68.2 145.37 66.23 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.301 2.667 . . . . 0.0 111.476 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.5 t -112.65 135.03 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.604 1.162 . . . . 0.0 108.936 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.88 -27.95 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.37 1.468 . . . . 0.0 112.244 -168.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -157.87 166.5 32.49 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.397 1.079 . . . . 0.0 112.199 170.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.53 142.16 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.73 1.612 . . . . 0.0 110.326 -169.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.06 122.67 12.52 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.161 1.384 . . . . 0.0 111.988 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -112.21 124.79 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 166.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 15.0 mm -87.38 144.87 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 122.002 -0.436 . . . . 0.0 109.869 -173.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -129.58 136.35 49.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.864 1.266 . . . . 0.0 110.872 177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -162.33 85.29 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.89 1.276 . . . . 0.0 111.331 -171.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 68.5 130.55 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.759 2.424 . . . . 0.0 112.998 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 69.19 -38.83 0.41 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.104 2.561 . . . . 0.0 115.226 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -177.1 -149.65 7.89 Favored Glycine 0 N--CA 1.465 0.595 0 C-N-CA 124.98 1.276 . . . . 0.0 113.845 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 72.5 p -70.6 145.22 50.86 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.489 0.661 . . . . 0.0 111.324 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -65.64 -28.41 69.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.387 1.475 . . . . 0.0 112.331 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.08 1.76 22.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.615 1.578 . . . . 0.0 114.057 173.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.44 170.81 16.59 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.681 1.592 . . . . 0.0 111.932 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.99 179.85 34.33 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.305 0.955 . . . . 0.0 115.078 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -132.43 162.94 29.87 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.208 1.803 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.5 p -157.7 154.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.573 1.149 . . . . 0.0 111.049 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.1 m -141.38 136.86 31.85 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.51 1.924 . . . . 0.0 109.291 -174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.5 mtp -133.89 161.56 34.44 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -168.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -87.61 144.81 26.49 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.73 -1.581 . . . . 0.0 106.73 165.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 72.38 97.06 0.04 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 127.371 2.269 . . . . 0.0 111.268 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.8 -17.74 56.72 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.717 2.278 . . . . 0.0 113.084 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.8 -30.31 56.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.426 1.09 . . . . 0.0 112.945 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -84.18 -30.79 25.53 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.217 1.007 . . . . 0.0 111.94 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.55 -15.66 61.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.171 0.988 . . . . 0.0 113.046 169.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -94.12 -25.11 17.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.054 0.542 . . . . 0.0 111.999 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -66.73 -43.99 82.73 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.689 -0.632 . . . . 0.0 109.723 168.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -57.17 -44.42 83.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.599 0.759 . . . . 0.0 112.784 173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 -60.49 -31.83 70.85 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.847 1.259 . . . . 0.0 113.462 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.53 27.25 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.34 -33.59 15.23 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.963 1.305 . . . . 0.0 113.989 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.12 15.42 20.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.005 1.322 . . . . 0.0 112.77 -172.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -114.52 135.87 53.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.662 1.585 . . . . 0.0 111.093 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 72.81 29.38 65.33 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.698 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 5.7 t -120.07 172.84 7.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.231 1.812 . . . . 0.0 111.018 -174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 65.7 m -140.1 137.64 34.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.536 1.935 . . . . 0.0 109.631 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 59.9 mt -81.96 -82.4 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 170.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.74 115.05 3.86 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.686 1.594 . . . . 0.0 108.444 170.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 70.18 1.72 36.06 Favored Glycine 0 CA--C 1.539 1.536 0 CA-C-O 118.81 -0.994 . . . . 0.0 115.374 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 35.2 ttm-85 -150.54 125.5 9.86 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.708 1.603 . . . . 0.0 111.341 -171.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -73.3 161.81 30.08 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.047 1.739 . . . . 0.0 112.334 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.34 142.63 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 126.82 2.048 . . . . 0.0 108.956 171.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -142.84 144.78 32.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.596 1.558 . . . . 0.0 109.682 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 69.5 t -147.71 135.33 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 126.341 1.856 . . . . 0.0 109.971 -168.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.9 163.57 29.09 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.57 1.148 . . . . 0.0 112.875 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 47.4 mt -58.75 154.84 13.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.215 1.406 . . . . 0.0 112.879 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -155.85 -175.82 5.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.366 1.066 . . . . 0.0 113.37 -169.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 5.1 t -135.22 166.26 23.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.599 1.56 . . . . 0.0 112.135 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.61 166.05 23.51 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.822 2.449 . . . . 0.0 114.922 -169.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.446 ' HD3' " H2'" ' C' ' 8' ' ' ' U' . 0.8 OUTLIER -68.55 149.39 49.26 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.457 1.503 . . . . 0.0 109.037 165.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . 0.27 27.3 m 53.53 175.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 128.937 2.895 . . . . 0.0 114.713 -169.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -157.96 167.9 28.64 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.9 2.08 . . . . 0.0 111.812 -173.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -158.08 133.44 8.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.537 1.135 . . . . 0.0 111.398 -174.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -67.82 -25.23 65.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.493 1.117 . . . . 0.0 112.856 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 70.84 -21.79 0.19 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.739 2.816 . . . . 0.0 116.049 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -154.92 157.52 37.89 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.671 1.588 . . . . 0.0 111.982 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -161.95 154.92 17.21 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.969 1.707 . . . . 0.0 111.74 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.7 139.27 24.93 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.052 2.501 . . . . 0.0 110.517 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -162.78 155.55 19.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.822 1.649 . . . . 0.0 111.639 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -75.79 -21.53 57.28 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -169.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 61.8 p -166.65 152.7 8.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.541 1.536 . . . . 0.0 111.476 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.996 1.718 . . . . 0.0 112.224 -173.782 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -163.04 164.86 25.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.385 1.474 . . . . 0.0 111.251 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -164.74 161.94 20.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.43 1.892 . . . . 0.0 110.788 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -68.55 122.06 17.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.184 0.993 . . . . 0.0 111.543 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.5 162.75 24.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.086 1.754 . . . . 0.0 111.379 -176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -156.59 112.44 2.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.058 1.343 . . . . 0.0 109.695 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -63.43 158.85 43.0 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.925 3.084 . . . . 0.0 113.53 176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.0 t -138.51 122.92 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.314 1.446 . . . . 0.0 108.836 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -165.09 141.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.895 1.678 . . . . 0.0 110.008 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.18 170.93 38.05 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.426 1.012 . . . . 0.0 114.044 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -148.25 157.82 43.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.643 1.577 . . . . 0.0 111.525 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -160.96 152.6 19.45 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.888 1.675 . . . . 0.0 110.639 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.21 152.39 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.559 1.943 . . . . 0.0 110.113 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 40.5 p -134.44 36.89 3.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.597 1.959 . . . . 0.0 111.709 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 70.8 mtm -61.17 4.68 0.08 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.936 2.094 . . . . 0.0 115.106 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -73.22 -19.49 61.08 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.148 1.779 . . . . 0.0 113.598 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 30.2 p -72.43 -43.5 63.74 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.829 1.195 . . . . 0.0 110.248 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 130.36 45.19 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.047 1.339 . . . . 0.0 111.997 169.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.4 mt -138.38 124.42 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 127.919 2.487 . . . . 0.0 109.256 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.53 150.44 46.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.948 1.299 . . . . 0.0 111.415 171.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -146.19 80.24 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.578 0.751 . . . . 0.0 111.445 174.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.46 35.28 0.45 Allowed Glycine 0 CA--C 1.549 2.217 0 CA-C-O 117.013 -1.993 . . . . 0.0 118.058 174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.43 -139.21 10.67 Favored Glycine 0 C--N 1.351 1.4 0 CA-C-N 122.239 3.02 . . . . 0.0 113.302 -172.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.7 mt 68.93 155.71 0.15 Allowed Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 127.565 2.346 . . . . 0.0 112.145 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -75.82 18.25 0.64 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.451 2.767 . . . . 0.0 112.712 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . 0.475 ' CE2' " H1'" ' C' ' 7' ' ' ' G' . 7.5 t80 79.82 -43.49 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.654 3.581 . . . . 0.0 111.969 -175.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -109.89 119.13 38.38 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.287 1.835 . . . . 0.0 112.109 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 14.9 t -177.56 -149.24 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 129.193 2.997 . . . . 0.0 108.643 -169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -140.43 160.64 39.55 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.503 1.921 . . . . 0.0 112.335 -175.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.08 -22.43 65.78 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.456 1.502 . . . . 0.0 113.191 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -86.09 -5.79 59.14 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.127 1.371 . . . . 0.0 113.71 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -77.92 -57.14 3.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.444 1.497 . . . . 0.0 111.567 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 23.6 tp -46.8 -47.22 20.99 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.859 1.264 . . . . 0.0 114.033 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.91 -21.19 64.52 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -80.81 -15.84 55.34 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.93 1.292 . . . . 0.0 113.074 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -90.46 -36.12 14.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -83.87 -3.79 58.18 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -169.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -12.07 61.35 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.19 -14.49 61.36 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.99 0.916 . . . . 0.0 113.388 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -100.81 -13.2 18.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 113.831 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.08 -143.34 11.49 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.563 1.554 . . . . 0.0 111.96 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -100.91 135.22 42.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.758 1.223 . . . . 0.0 110.354 178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -96.85 133.92 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.45 -61.54 1.76 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 171.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -162.2 146.73 12.4 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.78 1.632 . . . . 0.0 109.538 172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.73 140.02 40.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.477 1.111 . . . . 0.0 111.201 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -144.11 144.25 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.314 1.446 . . . . 0.0 111.13 -169.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.09 -31.96 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-O 116.143 -1.884 . . . . 0.0 113.643 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 47.0 mm 74.69 86.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 122.773 2.533 . . . . 0.0 111.385 172.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 93.9 m -155.35 -59.6 0.11 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.1 1.76 . . . . 0.0 110.628 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -173.02 123.94 0.42 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.157 1.783 . . . . 0.0 109.558 -169.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttp-105 -74.06 -17.34 60.97 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -103.29 -36.11 8.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.955 1.302 . . . . 0.0 113.272 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -98.37 -27.14 14.23 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.208 0.913 . . . . 0.0 112.223 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 57.48 42.36 24.6 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.176 1.79 . . . . 0.0 112.541 168.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.43 -130.73 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.515 0.726 . . . . 0.0 111.066 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 56.8 p -152.18 151.49 31.08 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.524 -1.36 . . . . 0.0 114.118 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.12 11.57 5.99 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.857 2.063 . . . . 0.0 112.251 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.78 -46.42 3.32 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.174 2.321 . . . . 0.0 114.284 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -86.63 89.22 7.85 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.626 1.213 . . . . 0.0 113.004 -175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.59 174.66 53.24 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.826 1.203 . . . . 0.0 112.945 174.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -144.03 133.56 23.46 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 126.209 1.804 . . . . 0.0 109.763 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 89.8 t -122.47 151.35 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.476 1.511 . . . . 0.0 108.607 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.1 m -137.53 128.55 27.48 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 173.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 90.9 mmm -106.15 151.32 24.89 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.689 0.796 . . . . 0.0 112.312 -173.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -67.23 -37.27 83.29 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -173.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -137.35 163.84 30.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.016 1.726 . . . . 0.0 111.978 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -58.67 -43.97 90.07 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.0 89.48 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.41 1.004 . . . . 0.0 111.545 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.1 m -63.08 -32.11 73.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.835 0.854 . . . . 0.0 112.377 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.92 48.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.844 1.257 . . . . 0.0 112.555 172.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.87 -41.56 99.44 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.827 1.251 . . . . 0.0 111.632 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.42 -34.99 76.97 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.691 1.196 . . . . 0.0 112.782 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.48 72.68 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 112.088 172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 88.6 m -91.08 10.34 27.22 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.752 1.621 . . . . 0.0 114.266 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.28 -55.49 27.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.081 1.352 . . . . 0.0 112.214 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.82 137.11 19.72 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.423 1.489 . . . . 0.0 109.891 169.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -86.16 -17.36 3.81 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.252 2.634 . . . . 0.0 113.28 -173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -146.19 57.8 4.17 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.601 1.561 . . . . 0.0 111.442 -176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.02 157.04 58.95 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.824 3.016 . . . . 0.0 111.227 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 25.4 mm -75.67 131.91 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.83 112.59 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 60.16 26.6 16.02 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.261 1.824 . . . . 0.0 114.315 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 106.07 8.37 34.01 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.836 1.208 . . . . 0.0 115.984 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -143.24 142.99 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.876 1.338 . . . . 0.0 111.546 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.93 125.88 25.02 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.267 1.027 . . . . 0.0 112.579 172.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.22 -159.49 0.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.497 1.919 . . . . 0.0 112.438 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -155.96 116.38 3.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.79 2.036 . . . . 0.0 106.313 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 13.9 t -132.73 75.02 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 122.212 1.006 . . . . 0.0 112.332 -165.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -101.2 159.48 15.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.543 1.537 . . . . 0.0 113.439 173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 47.8 mt -63.22 127.09 29.68 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 167.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.01 -4.11 59.03 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -166.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -54.31 -17.44 2.97 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.42 -20.19 65.48 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.916 1.686 . . . . 0.0 113.4 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -151.29 -5.08 0.17 Allowed Glycine 0 CA--C 1.537 1.425 0 N-CA-C 117.155 1.622 . . . . 0.0 117.155 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.45 163.56 15.58 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.875 1.806 . . . . 0.0 115.875 -171.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -61.87 142.26 95.04 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 124.83 1.252 . . . . 0.0 111.974 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -53.11 141.94 56.43 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 124.256 3.304 . . . . 0.0 113.712 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.04 131.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.718 2.007 . . . . 0.0 108.263 -174.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -146.81 163.98 34.28 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.996 1.319 . . . . 0.0 112.362 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -108.43 -1.34 19.95 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.783 1.633 . . . . 0.0 112.918 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 96.5 t -146.62 131.54 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.291 1.436 . . . . 0.0 110.657 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -158.83 146.58 17.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.803 1.641 . . . . 0.0 109.885 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 86.4 mt -88.61 -3.41 58.8 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.927 2.091 . . . . 0.0 111.515 -178.172 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 3 N19-C1'-C2' 120.783 4.614 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 C4'-C3'-C2' 99.403 -3.297 . 0.253 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 O4'-C1'-N19 112.417 4.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O5'-C5'-C4' 112.875 1.911 . 0.217 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 1 O4'-C1'-N19 112.365 4.165 . 0.228 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 2 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . 0.475 " H1'" ' CE2' ' B' ' 44' ' ' TYR . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 116.135 7.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . 0.446 " H2'" ' HD3' ' A' ' 177' ' ' ARG . . . . . . . . 0 P--O5' 1.614 2.059 1 O4'-C1'-N19 113.181 4.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 O4'-C1'-N19 110.314 2.114 . 0.119 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 C5'-C4'-C3' 109.142 -4.238 . 0.176 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.995 0 O4'-C1'-N19 111.272 3.072 . 0.292 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 O4'-C1'-N19 113.035 4.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -161.59 143.89 11.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.744 1.217 . . . . 0.0 112.504 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.29 73.01 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 CA-C-O 117.711 -1.605 . . . . 0.0 115.52 167.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.88 -39.09 54.13 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.403 2.069 . . . . 0.0 110.361 168.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 -145.48 157.76 43.95 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 128.0 2.52 . . . . 0.0 109.341 169.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -133.68 -32.62 1.12 Allowed 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.8 mt -153.94 157.24 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.395 1.878 . . . . 0.0 109.641 -169.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -149.87 148.71 29.47 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.544 2.338 . . . . 0.0 110.351 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.07 134.73 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.865 1.266 . . . . 0.0 109.586 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -111.69 24.54 12.61 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.389 1.476 . . . . 0.0 114.32 -167.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -156.2 8.12 0.22 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.96 139.41 53.3 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 125.945 1.698 . . . . 0.0 112.343 -175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.04 158.56 49.35 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.538 2.159 . . . . 0.0 110.945 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.491 ' CZ ' " H1'" ' C' ' 1' ' ' ' U' . 4.7 m-30 -55.47 -39.89 70.95 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 174.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -89.8 92.75 9.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 110.693 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -162.64 146.28 11.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.959 0.904 . . . . 0.0 112.997 -169.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -139.7 172.15 13.2 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.839 1.655 . . . . 0.0 111.553 -175.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.46 -36.78 35.16 Favored Pre-proline 0 CA--C 1.55 0.968 0 O-C-N 120.864 -1.148 . . . . 0.0 113.54 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -66.76 -19.7 53.0 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.234 2.623 . . . . 0.0 114.443 175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -80.76 -25.99 37.6 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.15 0.58 . . . . 0.0 111.473 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 23.6 tp -86.79 -38.87 16.46 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.642 1.177 . . . . 0.0 111.272 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 92.7 m -55.27 -45.7 76.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.016 1.326 . . . . 0.0 111.094 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.34 -11.92 60.39 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 76.9 mtp -69.17 -44.22 72.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.716 1.144 . . . . 0.0 111.11 169.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -97.62 -23.24 16.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.76 -12.75 3.26 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 168.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.46 -13.92 60.41 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.019 1.328 . . . . 0.0 114.289 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.25 -11.13 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 171.58 173.63 38.62 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.476 1.036 . . . . 0.0 112.875 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.64 125.44 8.9 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.882 2.388 . . . . 0.0 111.46 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -83.89 128.61 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.489 1.515 . . . . 0.0 108.703 171.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.3 t -107.51 -22.26 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.383 1.873 . . . . 0.0 112.421 -169.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.28 162.24 10.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.899 2.479 . . . . 0.0 108.885 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.5 148.87 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.902 1.681 . . . . 0.0 108.852 -168.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -158.36 127.22 5.54 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mm -110.75 138.99 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.114 1.366 . . . . 0.0 107.917 168.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 21.9 mm -90.03 148.14 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.525 0.73 . . . . 0.0 109.693 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -134.84 135.34 41.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.241 1.016 . . . . 0.0 110.242 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -162.05 122.64 2.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.003 0.921 . . . . 0.0 111.621 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 67.77 -47.46 0.51 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.969 2.908 . . . . 0.0 115.089 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -160.92 110.89 1.71 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.457 1.903 . . . . 0.0 109.894 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.71 -170.17 36.58 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.442 1.02 . . . . 0.0 114.23 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 138.4 39.17 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -59.27 158.55 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.948 0.88 . . . . 0.0 111.786 172.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 16.05 1.37 Allowed Glycine 0 CA--C 1.548 2.121 0 C-N-CA 124.661 1.124 . . . . 0.0 115.643 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -153.2 162.53 41.2 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.286 1.835 . . . . 0.0 112.338 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.78 173.32 42.11 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 124.721 1.153 . . . . 0.0 114.531 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.99 160.89 32.26 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.183 2.193 . . . . 0.0 111.965 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.0 p -156.04 160.88 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.711 1.205 . . . . 0.0 111.687 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -139.59 139.3 36.75 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.655 1.582 . . . . 0.0 111.153 -168.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 82.6 mtp -139.65 160.98 38.64 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.832 1.253 . . . . 0.0 111.3 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.46 -31.4 71.36 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -171.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -145.87 149.85 40.74 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 125.8 1.64 . . . . 0.0 110.047 172.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.86 -25.79 38.77 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.607 2.205 . . . . 0.0 111.851 173.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -71.94 -17.94 62.05 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.801 1.241 . . . . 0.0 113.622 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -93.69 -9.88 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.355 1.062 . . . . 0.0 112.587 171.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.95 -50.19 5.44 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.292 1.437 . . . . 0.0 110.553 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -49.8 -24.55 2.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -56.12 -35.94 67.66 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.822 0.737 . . . . 0.0 112.765 172.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.66 -35.48 19.31 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.387 1.075 . . . . 0.0 112.369 176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -55.56 -44.38 76.76 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.852 0.751 . . . . 0.0 111.134 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -67.2 -15.09 63.49 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -98.29 -57.36 2.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.502 1.121 . . . . 0.0 111.565 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -73.04 -36.66 66.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -65.52 106.04 1.34 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.877 -0.514 . . . . 0.0 111.672 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.8 26.26 6.85 Favored Glycine 0 N--CA 1.473 1.109 0 N-CA-C 116.505 1.362 . . . . 0.0 116.505 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 6.4 t -118.59 175.49 5.7 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.876 1.338 . . . . 0.0 111.054 172.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 81.3 m -143.66 136.68 27.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.986 2.114 . . . . 0.0 108.768 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 5.5 mt -123.07 -124.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.93 0.892 . . . . 0.0 109.814 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.22 74.72 5.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.073 1.306 . . . . 0.0 111.705 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 77.14 13.04 84.06 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.932 1.253 . . . . 0.0 114.684 176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.7 ptm85 -150.02 145.56 26.48 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.551 1.176 . . . . 0.0 113.284 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -63.31 164.25 9.26 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.428 2.291 . . . . 0.0 112.544 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.2 t -132.35 128.4 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 109.711 170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -144.06 129.5 18.97 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.189 1.796 . . . . 0.0 109.02 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 94.7 t -145.29 136.84 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.879 1.672 . . . . 0.0 109.01 -167.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -157.52 163.6 38.25 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.406 0.682 . . . . 0.0 112.819 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.3 mt -52.67 148.05 7.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.219 1.407 . . . . 0.0 112.225 177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.78 125.39 28.02 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.355 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 77.4 m -79.06 87.21 4.85 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 126.164 1.785 . . . . 0.0 107.329 170.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -61.09 151.03 32.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.04 1.336 . . . . 0.0 111.054 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -74.98 64.66 1.34 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.526 0.679 . . . . 0.0 112.319 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -146.52 173.29 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 128.135 2.574 . . . . 0.0 110.573 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -149.83 174.81 12.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.216 1.407 . . . . 0.0 112.879 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -153.62 165.09 37.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.261 1.424 . . . . 0.0 112.347 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -130.85 16.41 5.23 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.218 1.407 . . . . 0.0 113.388 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.61 164.2 39.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.962 1.705 . . . . 0.0 112.868 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.0 156.43 31.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.736 1.214 . . . . 0.0 113.322 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.99 151.35 86.16 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.454 1.102 . . . . 0.0 113.522 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -69.54 161.65 45.08 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.428 2.752 . . . . 0.0 111.404 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.9 144.98 20.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.105 1.362 . . . . 0.0 110.506 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.03 151.49 45.49 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.782 1.633 . . . . 0.0 110.867 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 43.6 p -86.62 -6.38 58.88 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.788 2.035 . . . . 0.0 112.019 -176.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -164.57 168.17 18.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.349 1.459 . . . . 0.0 111.757 -176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -146.94 134.54 20.99 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.437 1.495 . . . . 0.0 109.427 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -161.25 138.81 9.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.233 1.413 . . . . 0.0 111.253 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.04 157.92 26.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.722 1.609 . . . . 0.0 111.484 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.22 156.59 16.67 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 126.108 1.763 . . . . 0.0 110.156 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.13 76.52 3.42 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.319 2.679 . . . . 0.0 111.029 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.68 117.73 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.071 0.948 . . . . 0.0 110.131 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.42 8.65 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 125.597 1.559 . . . . 0.0 112.946 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.62 -4.2 76.6 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.04 1.305 . . . . 0.0 113.786 171.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -168.07 136.86 2.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.646 2.378 . . . . 0.0 108.483 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -141.31 39.27 1.74 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.432 1.893 . . . . 0.0 108.602 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.5 170.4 17.38 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.695 1.998 . . . . 0.0 112.132 -165.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 30.2 p -80.4 99.68 8.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.626 1.17 . . . . 0.0 110.474 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 13.4 ttt -76.3 -2.63 32.48 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.116 . . . . 0.0 112.913 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -72.59 9.65 1.03 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.644 1.978 . . . . 0.0 115.634 -169.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 37.4 p -96.77 -9.58 28.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.425 1.49 . . . . 0.0 112.055 169.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -85.65 141.96 29.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.97 1.308 . . . . 0.0 111.293 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mt -146.48 122.48 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.067 1.347 . . . . 0.0 110.448 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -78.62 127.83 32.65 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.399 1.08 . . . . 0.0 110.058 168.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -130.53 98.24 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.231 0.612 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.14 58.67 1.87 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-O 118.769 -1.017 . . . . 0.0 114.765 170.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.6 -154.73 30.34 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 118.926 1.363 . . . . 0.0 113.531 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.1 mt 69.85 157.67 0.16 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 128.133 2.573 . . . . 0.0 114.766 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.33 -2.63 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.577 2.852 . . . . 0.0 112.246 168.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 70.97 50.81 0.31 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.133 1.773 . . . . 0.0 111.555 173.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -157.09 10.82 0.21 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 127.344 2.258 . . . . 0.0 112.867 168.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -119.36 -135.76 0.33 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.118 1.767 . . . . 0.0 111.028 -168.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 81.6 p -168.11 177.74 5.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.091 1.357 . . . . 0.0 112.834 -168.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -62.36 -14.99 45.78 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.178 1.391 . . . . 0.0 113.895 171.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.74 -8.5 35.98 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.551 1.141 . . . . 0.0 112.617 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 33.6 m -98.52 -61.04 1.43 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.329 1.852 . . . . 0.0 109.178 168.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 tp -43.37 -49.13 7.04 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -66.72 -14.88 63.08 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -87.88 -16.69 33.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.328 1.451 . . . . 0.0 112.42 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -89.37 -43.94 10.55 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.259 -0.901 . . . . 0.0 112.891 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -79.1 -8.49 59.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.63 -6.06 44.31 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.405 -0.809 . . . . 0.0 112.967 169.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.2 -15.69 62.48 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.13 -0.981 . . . . 0.0 111.801 168.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -104.4 -12.32 16.62 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.539 1.535 . . . . 0.0 113.69 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.58 -124.43 1.58 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 124.981 1.277 . . . . 0.0 112.535 -176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.44 131.55 48.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.439 1.495 . . . . 0.0 110.528 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.72 126.91 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.087 -1.008 . . . . 0.0 109.135 -174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.26 -53.07 60.42 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.317 1.047 . . . . 0.0 110.595 171.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -166.26 146.63 6.28 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.379 1.872 . . . . 0.0 108.694 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -139.56 148.27 42.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.068 0.947 . . . . 0.0 110.864 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 26.0 m -145.63 159.5 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.728 1.611 . . . . 0.0 110.453 -172.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.8 t -126.65 119.26 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.22 1.408 . . . . 0.0 107.587 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.94 114.12 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.965 0.906 . . . . 0.0 109.548 -169.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 91.5 m -161.75 -62.24 0.05 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.097 1.759 . . . . 0.0 108.681 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -167.2 126.63 1.41 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.786 1.634 . . . . 0.0 109.318 -170.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.38 -23.22 64.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -103.29 -37.04 7.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.897 1.279 . . . . 0.0 113.336 -172.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -96.91 -26.79 14.93 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.998 0.817 . . . . 0.0 112.183 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 58.62 41.58 21.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.022 1.729 . . . . 0.0 112.478 168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.99 -138.6 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.777 0.831 . . . . 0.0 112.109 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 36.6 t -137.95 142.68 40.53 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.535 -1.353 . . . . 0.0 113.937 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 17.97 11.05 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.255 2.622 . . . . 0.0 110.742 169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.51 28.13 72.71 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.508 1.528 . . . . 0.0 114.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -165.83 152.79 9.95 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -150.75 -177.37 24.59 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.462 1.506 . . . . 0.0 113.883 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.91 136.27 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.911 1.684 . . . . 0.0 109.133 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.15 145.85 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 108.008 174.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m -137.83 121.65 17.61 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.632 1.173 . . . . 0.0 108.047 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 87.9 mmm -92.08 154.3 18.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.215 1.006 . . . . 0.0 112.93 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -35.24 80.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -148.7 159.01 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.995 1.318 . . . . 0.0 112.342 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -54.52 -27.53 38.89 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 114.443 -1.253 . . . . 0.0 113.123 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.79 71.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.905 1.23 . . . . 0.0 112.896 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 49.1 m -80.72 -36.81 31.64 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.975 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.53 73.84 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.215 -0.928 . . . . 0.0 113.09 177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.85 -33.62 70.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.166 0.986 . . . . 0.0 112.388 172.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.62 -35.72 33.62 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.247 1.019 . . . . 0.0 112.343 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.58 88.02 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 118.701 0.682 . . . . 0.0 111.734 169.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m -84.35 17.52 2.56 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.392 1.877 . . . . 0.0 113.928 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -63.07 -35.62 80.85 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.227 1.011 . . . . 0.0 111.969 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -131.09 142.86 47.09 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.104 1.762 . . . . 0.0 111.719 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -91.14 -8.24 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.262 2.641 . . . . 0.0 114.329 -177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.94 62.23 6.62 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.757 1.623 . . . . 0.0 110.787 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.92 152.08 77.4 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.238 2.626 . . . . 0.0 111.262 -177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mm -81.62 126.28 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 170.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 26.9 mt -129.81 114.56 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 19.0 t70 59.25 28.66 18.04 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.803 1.641 . . . . 0.0 113.806 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.93 16.62 54.07 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.764 1.173 . . . . 0.0 115.233 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -143.3 142.32 31.29 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 110.278 -176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -75.18 118.26 17.92 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.161 -0.962 . . . . 0.0 112.418 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.62 -163.14 0.98 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.492 1.517 . . . . 0.0 111.46 172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -141.66 155.72 45.68 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.17 1.788 . . . . 0.0 109.174 176.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -141.56 127.67 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.325 1.85 . . . . 0.0 108.384 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -161.25 145.88 13.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.253 2.221 . . . . 0.0 108.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.2 13.12 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 -171.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.94 -33.82 0.26 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.237 3.015 . . . . 0.0 116.332 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -60.88 -11.92 9.39 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.641 1.576 . . . . 0.0 115.215 -171.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.72 -21.7 66.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.137 1.375 . . . . 0.0 112.777 170.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 -13.66 0.3 Allowed Glycine 0 CA--C 1.538 1.503 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.38 141.45 56.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.089 1.445 . . . . 0.0 113.372 -169.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -59.23 121.37 55.46 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.861 0.864 . . . . 0.0 112.301 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -81.6 173.14 11.68 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.157 3.238 . . . . 0.0 111.941 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 68.31 20.45 8.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.109 2.163 . . . . 0.0 113.985 170.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 40.4 p -70.26 -175.86 1.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.543 1.937 . . . . 0.0 111.646 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -74.85 56.33 0.73 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.518 1.527 . . . . 0.0 113.47 -173.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 m -142.35 138.54 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 127.226 2.211 . . . . 0.0 109.861 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -157.52 -4.18 0.1 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -170.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.72 165.12 28.54 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.177 1.391 . . . . 0.0 112.257 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.709 2.003 . . . . 0.0 111.766 -178.546 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ' U' . . . . . 0.491 " H1'" ' CZ ' ' A' ' 109' ' ' PHE . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-C2' 101.32 -3.628 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.522 4.322 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.78 4.58 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.364 3.164 . 0.094 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 104.893 3.77 . 0.204 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 114.197 5.997 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 C3'-C2'-C1' 105.065 3.961 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.271 1 O4'-C1'-N19 112.515 4.315 . 0.41 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 O4'-C1'-N19 114.467 6.267 . 0.48 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.606 0 O5'-C5'-C4' 113.059 2.042 . 0.074 4b . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_