data_2l0j_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 2l0j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HZ2' ' C ' ' D' ' 62' ' ' GLY . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HZ2' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . 0.414 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.435 HD13 HG12 ' D' ' 35' ' ' ILE . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.435 HG12 HD13 ' C' ' 33' ' ' ILE . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.56 ' C ' ' HZ3' ' B' ' 49' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HZ3' ' C ' ' A' ' 62' ' ' GLY . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.45 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . 0.415 ' C ' ' HZ2' ' C' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.415 ' HZ2' ' C ' ' B' ' 62' ' ' GLY . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.45 0.643 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . 0.449 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.412 ' HA ' HD21 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.426 ' CD2' HG23 ' B' ' 33' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.521 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p -155.79 49.94 0.53 Allowed 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HZ2' ' C ' ' D' ' 62' ' ' GLY . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HZ2' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p -160.22 13.52 0.12 Allowed 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.838 -1.789 . . . . 0.0 115.515 -158.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -112.02 8.03 20.01 Favored 'General case' 0 C--N 1.374 1.631 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -161.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.434 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . 0.414 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.414 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.435 HD13 HG12 ' D' ' 35' ' ' ILE . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.435 HG12 HD13 ' C' ' 33' ' ' ILE . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.296 25.0 m . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p -130.13 9.74 5.3 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 118.649 -2.532 . . . . 0.0 117.047 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.56 ' C ' ' HZ3' ' B' ' 49' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HZ3' ' C ' ' A' ' 62' ' ' GLY . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.759 15.1 m . . . . . 0 N--CA 1.497 1.897 1 N-CA-C 124.357 4.947 . . . . 0.0 124.357 . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -157.47 15.98 0.26 Allowed 'General case' 0 C--N 1.377 1.78 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 -162.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.45 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p -118.87 14.54 13.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 119.535 -1.978 . . . . 0.0 114.422 -166.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -137.72 52.25 1.88 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.157 -1.59 . . . . 0.0 108.147 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . 0.415 ' C ' ' HZ2' ' C' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.415 ' HZ2' ' C ' ' B' ' 62' ' ' GLY . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p -121.56 17.87 11.25 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 119.76 -1.838 . . . . 0.0 112.049 170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . 0.449 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.412 ' HA ' HD21 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.426 ' CD2' HG23 ' B' ' 33' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.521 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.521 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 39' ' ' ILE . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 36' ' ' LEU . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD22 HG23 ' D' ' 33' ' ' ILE . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.455 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.415 HG13 ' H ' ' C' ' 32' ' ' ILE . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 38' ' ' LEU . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.406 HG23 HD22 ' C' ' 38' ' ' LEU . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' HIS . . . . . 0.409 ' CE1' ' HE ' ' B' ' 61' ' ' ARG . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.409 ' HE ' ' CE1' ' B' ' 57' ' ' HIS . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.406 HD22 HG23 ' B' ' 33' ' ' ILE . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.505 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.502 HG23 HD22 ' C' ' 38' ' ' LEU . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.47 HG23 HD22 ' D' ' 38' ' ' LEU . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.443 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.502 HD22 HG23 ' B' ' 33' ' ' ILE . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.47 HD22 HG23 ' C' ' 33' ' ' ILE . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' C' ' 45' ' ' ARG . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.41 ' HD3' ' CZ3' ' C' ' 41' ' ' TRP . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG21 HG12 ' B' ' 35' ' ' ILE . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 33' ' ' ILE . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.442 HD21 HG12 ' D' ' 32' ' ' ILE . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.442 HG12 HD21 ' C' ' 26' ' ' LEU . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.45 0.643 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HA ' HG21 ' D' ' 33' ' ' ILE . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.748 HD22 HG23 ' D' ' 33' ' ' ILE . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' C' ' 35' ' ' ILE . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ARG . . . . . 0.431 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.55 ' HA ' HD23 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' C' ' 35' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.434 ' N ' ' HG ' ' C' ' 38' ' ' LEU . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.611 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.611 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.748 HG23 HD22 ' A' ' 38' ' ' LEU . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p -155.79 49.94 0.53 Allowed 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p -160.22 13.52 0.12 Allowed 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.838 -1.789 . . . . 0.0 115.515 -158.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 39' ' ' ILE . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 36' ' ' LEU . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -112.02 8.03 20.01 Favored 'General case' 0 C--N 1.374 1.631 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -161.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD22 HG23 ' D' ' 33' ' ' ILE . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.455 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.415 HG13 ' H ' ' C' ' 32' ' ' ILE . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 38' ' ' LEU . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.296 25.0 m . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p -130.13 9.74 5.3 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 118.649 -2.532 . . . . 0.0 117.047 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.406 HG23 HD22 ' C' ' 38' ' ' LEU . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' HIS . . . . . 0.409 ' CE1' ' HE ' ' B' ' 61' ' ' ARG . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.409 ' HE ' ' CE1' ' B' ' 57' ' ' HIS . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.406 HD22 HG23 ' B' ' 33' ' ' ILE . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.759 15.1 m . . . . . 0 N--CA 1.497 1.897 1 N-CA-C 124.357 4.947 . . . . 0.0 124.357 . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -157.47 15.98 0.26 Allowed 'General case' 0 C--N 1.377 1.78 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 -162.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.505 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.502 HG23 HD22 ' C' ' 38' ' ' LEU . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.47 HG23 HD22 ' D' ' 38' ' ' LEU . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.443 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.502 HD22 HG23 ' B' ' 33' ' ' ILE . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.47 HD22 HG23 ' C' ' 33' ' ' ILE . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p -118.87 14.54 13.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 119.535 -1.978 . . . . 0.0 114.422 -166.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' C' ' 45' ' ' ARG . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.41 ' HD3' ' CZ3' ' C' ' 41' ' ' TRP . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -137.72 52.25 1.88 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.157 -1.59 . . . . 0.0 108.147 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG21 HG12 ' B' ' 35' ' ' ILE . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 33' ' ' ILE . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.442 HD21 HG12 ' D' ' 32' ' ' ILE . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.442 HG12 HD21 ' C' ' 26' ' ' LEU . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p -121.56 17.87 11.25 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 119.76 -1.838 . . . . 0.0 112.049 170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HA ' HG21 ' D' ' 33' ' ' ILE . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.748 HD22 HG23 ' D' ' 33' ' ' ILE . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' C' ' 35' ' ' ILE . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ARG . . . . . 0.431 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.55 ' HA ' HD23 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' C' ' 35' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.434 ' N ' ' HG ' ' C' ' 38' ' ' LEU . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.611 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.611 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.748 HG23 HD22 ' A' ' 38' ' ' LEU . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p . . . . . 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 39' ' ' ILE . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 36' ' ' LEU . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD22 HG23 ' D' ' 33' ' ' ILE . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.455 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.415 HG13 ' H ' ' C' ' 32' ' ' ILE . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 38' ' ' LEU . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.406 HG23 HD22 ' C' ' 38' ' ' LEU . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . 0.409 ' CE1' ' HE ' ' B' ' 61' ' ' ARG . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.409 ' HE ' ' CE1' ' B' ' 57' ' ' HIS . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.406 HD22 HG23 ' B' ' 33' ' ' ILE . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.505 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.502 HG23 HD22 ' C' ' 38' ' ' LEU . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.47 HG23 HD22 ' D' ' 38' ' ' LEU . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.443 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.502 HD22 HG23 ' B' ' 33' ' ' ILE . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.47 HD22 HG23 ' C' ' 33' ' ' ILE . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' C' ' 45' ' ' ARG . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.41 ' HD3' ' CZ3' ' C' ' 41' ' ' TRP . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 CA--C 1.509 -0.603 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG21 HG12 ' B' ' 35' ' ' ILE . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 33' ' ' ILE . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.442 HD21 HG12 ' D' ' 32' ' ' ILE . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.442 HG12 HD21 ' C' ' 26' ' ' LEU . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.45 0.643 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HA ' HG21 ' D' ' 33' ' ' ILE . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.748 HD22 HG23 ' D' ' 33' ' ' ILE . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' C' ' 35' ' ' ILE . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . 0.431 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.55 ' HA ' HD23 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' C' ' 35' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.434 ' N ' ' HG ' ' C' ' 38' ' ' LEU . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.611 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.611 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.748 HG23 HD22 ' A' ' 38' ' ' LEU . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.9 p -155.79 49.94 0.53 Allowed 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -60.12 -42.91 92.41 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-O 115.067 -2.397 . . . . 0.0 116.142 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.97 -47.69 25.73 Favored 'Trans proline' 0 C--O 1.232 0.213 0 CA-C-N 126.765 3.452 . . . . 0.0 115.059 173.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.3 -47.86 77.84 Favored 'General case' 0 C--N 1.351 0.637 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.42 -42.89 97.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 120.655 -1.278 . . . . 0.0 112.489 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.86 -51.31 74.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 124.473 1.109 . . . . 0.0 112.802 173.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.74 98.92 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.722 -1.236 . . . . 0.0 113.409 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.29 81.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 p -67.13 -50.85 59.92 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.09 0.556 . . . . 0.0 110.353 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.53 -47.87 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 O-C-N 124.986 1.429 . . . . 0.0 111.02 170.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mt -55.99 -39.68 59.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 122.903 1.335 . . . . 0.0 113.713 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.81 -36.42 93.29 Favored Glycine 0 N--CA 1.478 1.49 0 O-C-N 119.407 -2.058 . . . . 0.0 115.401 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.73 -45.82 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 122.952 1.358 . . . . 0.0 110.93 168.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.7 -43.47 69.01 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.857 1.263 . . . . 0.0 112.467 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -41.91 98.76 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 118.022 -2.924 . . . . 0.0 114.851 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.99 -44.58 94.42 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.078 0.951 . . . . 0.0 112.889 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 124.636 1.174 . . . . 0.0 111.568 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.52 -40.95 98.39 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -62.86 -37.64 87.67 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.279 -2.138 . . . . 0.0 113.951 173.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 73.7 mt -63.27 -46.11 96.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-O 122.122 0.963 . . . . 0.0 111.475 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tt -55.02 -40.56 70.32 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.308 1.843 . . . . 0.0 112.588 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.62 -44.38 81.15 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.318 1.847 . . . . 0.0 114.297 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.3 mtm180 -100.72 -18.44 16.5 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -72.75 -46.63 52.48 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.61 -1.931 . . . . 0.0 113.243 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -113.47 64.53 0.65 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.762 1.267 . . . . 0.0 110.057 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -54.16 -32.4 55.3 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 128.846 2.858 . . . . 0.0 115.598 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.39 -15.85 60.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 120.67 -1.269 . . . . 0.0 114.374 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.3 m -70.57 -38.72 74.14 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 119.536 -1.977 . . . . 0.0 112.783 168.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.76 -27.9 26.22 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 C-N-CA 125.165 1.386 . . . . 0.0 111.521 171.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -60.7 -52.02 66.89 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 112.114 -3.834 . . . . 0.0 117.035 166.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -65.4 -38.97 91.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -70.63 -43.43 69.24 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.06 -33.66 70.48 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.8 -1.813 . . . . 0.0 110.984 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.78 -46.19 88.1 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.854 0.862 . . . . 0.0 112.914 170.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -61.46 -39.69 91.8 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.284 -1.51 . . . . 0.0 113.139 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.19 -32.34 58.42 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 120.626 -1.296 . . . . 0.0 114.72 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -66.22 -46.63 76.54 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.29 1.036 . . . . 0.0 112.291 168.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -63.7 -44.43 93.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -103.83 14.32 31.1 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 119.494 -2.004 . . . . 0.0 112.074 -171.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.528 0 O-C-N 121.035 -1.04 . . . . 0.0 111.174 174.24 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.4 m -139.32 40.88 2.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.85 -45.19 87.07 Favored Pre-proline 0 N--CA 1.443 -0.813 0 C-N-CA 128.211 2.605 . . . . 0.0 115.197 -163.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.48 -38.01 66.52 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 CA-C-N 124.826 2.759 . . . . 0.0 115.309 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.62 -46.21 76.56 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.076 0.95 . . . . 0.0 112.033 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.79 -42.68 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 124.993 1.317 . . . . 0.0 112.627 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.51 -48.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 O-C-N 120.53 -1.356 . . . . 0.0 113.391 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.2 98.2 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 120.605 -1.31 . . . . 0.0 114.187 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.51 94.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -63.16 -52.45 62.38 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 123.595 0.758 . . . . 0.0 111.31 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.42 -47.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 124.654 1.182 . . . . 0.0 112.436 168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -36.86 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 120.634 -1.291 . . . . 0.0 113.593 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.68 95.25 Favored Glycine 0 N--CA 1.481 1.659 0 O-C-N 119.488 -2.007 . . . . 0.0 115.533 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -63.05 -47.57 92.0 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 119.326 -2.279 . . . . 0.0 112.409 167.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -43.45 69.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.867 1.667 . . . . 0.0 112.5 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.94 -36.14 82.45 Favored 'General case' 0 C--N 1.393 2.491 0 O-C-N 118.12 -2.862 . . . . 0.0 114.659 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.86 -39.81 87.68 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 119.901 -1.749 . . . . 0.0 111.565 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.53 -44.54 96.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.562 1.145 . . . . 0.0 112.157 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.1 -44.74 94.62 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 120.463 -1.398 . . . . 0.0 113.348 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -60.07 -38.39 82.71 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.601 1.16 . . . . 0.0 113.826 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.91 -45.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.362 1.144 0 O-C-N 119.931 -1.731 . . . . 0.0 110.727 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.45 -32.33 68.62 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.818 1.247 . . . . 0.0 112.918 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.51 -18.89 65.67 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.059 2.144 . . . . 0.0 114.304 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.99 -38.89 3.0 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.107 0.956 . . . . 0.0 110.703 -176.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.61 -41.63 75.44 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 125.875 1.67 . . . . 0.0 114.84 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -122.98 51.71 1.41 Allowed 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -51.82 -33.92 38.04 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 129.215 3.006 . . . . 0.0 113.519 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -64.87 -32.9 74.82 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 119.587 -1.946 . . . . 0.0 114.91 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -61.38 -41.6 97.37 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 119.605 -1.935 . . . . 0.0 114.684 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 tp -78.16 -24.92 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.588 -1.32 . . . . 0.0 111.58 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -43.47 98.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 120.739 -1.226 . . . . 0.0 112.366 170.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -67.67 -44.83 76.88 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 168.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -65.27 -41.28 94.39 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.225 -1.547 . . . . 0.0 112.856 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -38.95 82.72 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.66 -1.275 . . . . 0.0 111.43 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.64 -42.98 98.01 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.951 -1.093 . . . . 0.0 112.923 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -60.39 -38.85 85.27 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.951 -1.093 . . . . 0.0 113.424 171.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.41 -39.9 49.64 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 121.101 -0.999 . . . . 0.0 113.128 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.17 -38.26 87.63 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.414 1.486 . . . . 0.0 112.803 172.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -65.94 -48.74 70.36 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 119.905 -1.747 . . . . 0.0 114.478 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -76.02 -32.78 59.55 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 121.325 -0.859 . . . . 0.0 112.746 -174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.857 0 CA-C-O 116.959 -2.023 . . . . 0.0 114.99 162.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.281 4.1 t . . . . . 0 N--CA 1.495 1.812 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -85.91 146.38 26.74 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 165.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -67.04 -42.93 44.49 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 119.144 3.016 . . . . 0.0 119.144 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -63.3 -37.25 51.44 Favored 'Trans proline' 0 C--N 1.343 0.266 0 CA-C-N 125.611 3.04 . . . . 0.0 117.471 -158.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.74 -45.89 77.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.186 1.357 . . . . 0.0 112.109 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.09 -37.56 80.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 O-C-N 121.156 -0.965 . . . . 0.0 113.395 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.77 -48.21 87.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.675 -1.266 . . . . 0.0 112.237 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.178 -1.576 . . . . 0.0 113.109 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.92 97.28 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 13.9 p -68.77 -45.82 70.36 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -47.61 -47.45 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.044 0.937 . . . . 0.0 111.901 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.79 -40.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 120.435 -1.416 . . . . 0.0 113.39 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.54 -49.51 32.88 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 120.087 -1.633 . . . . 0.0 115.988 170.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.14 -46.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 CA-C-O 122.178 0.989 . . . . 0.0 111.328 171.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.91 -41.7 67.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 114.402 -1.272 . . . . 0.0 113.155 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.33 99.42 Favored 'General case' 0 C--N 1.389 2.325 0 O-C-N 118.03 -2.918 . . . . 0.0 113.766 172.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.32 -44.13 97.72 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.587 1.085 . . . . 0.0 113.322 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.94 -42.65 93.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.484 -0.76 . . . . 0.0 110.27 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.42 -40.69 97.38 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.791 -1.193 . . . . 0.0 114.077 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -61.82 -45.11 95.24 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 119.82 -1.8 . . . . 0.0 112.499 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.58 -43.33 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 O-C-N 119.84 -1.788 . . . . 0.0 110.446 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 tp -55.74 -38.72 70.17 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.734 1.214 . . . . 0.0 113.705 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -58.14 -49.46 76.92 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.701 1.6 . . . . 0.0 111.537 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.58 -43.81 22.26 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.386 -1.446 . . . . 0.0 114.276 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 18.0 tp -67.86 -39.89 83.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 120.733 -1.229 . . . . 0.0 113.762 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -127.92 65.03 1.37 Allowed 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.221 -0.924 . . . . 0.0 109.994 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -31.02 -51.01 0.16 Allowed 'General case' 0 C--N 1.359 1.007 0 C-N-CA 128.922 2.889 . . . . 0.0 114.642 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -56.09 -37.75 69.79 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 119.036 2.976 . . . . 0.0 119.036 -171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.6 m -69.86 -44.5 69.72 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 119.413 -2.054 . . . . 0.0 116.034 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 7.5 tp -72.29 -22.12 20.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 O-C-N 118.952 -2.343 . . . . 0.0 111.783 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 125.223 1.409 . . . . 0.0 111.459 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -64.29 -40.68 96.45 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.839 -1.163 . . . . 0.0 113.316 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.49 -46.61 89.48 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.664 -1.272 . . . . 0.0 112.502 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -41.71 99.35 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.82 -39.43 91.74 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.662 -1.274 . . . . 0.0 112.919 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -62.69 -37.43 86.42 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.836 1.255 . . . . 0.0 113.473 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.23 -40.6 49.21 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.119 -0.988 . . . . 0.0 113.931 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.16 -40.22 94.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 120.85 -1.382 . . . . 0.0 113.565 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -63.05 -37.54 87.6 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -106.11 -2.24 22.84 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 -171.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.879 0 O-C-N 120.686 -1.259 . . . . 0.0 112.182 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . 0.252 29.2 t . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.444 0.64 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.4 p -72.45 157.38 37.73 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -61.87 -45.58 92.28 Favored Pre-proline 0 CA--C 1.554 1.133 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -58.27 -42.88 51.83 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 125.974 3.169 . . . . 0.0 116.753 -163.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 62.5 tp -63.53 -49.97 71.4 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.071 0.851 . . . . 0.0 113.029 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.88 -40.91 86.84 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 124.21 1.004 . . . . 0.0 112.15 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.45 -48.88 86.82 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 O-C-N 120.551 -1.343 . . . . 0.0 111.471 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.17 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 120.698 -1.251 . . . . 0.0 112.976 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.16 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 120.448 -1.407 . . . . 0.0 114.456 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.8 p -66.26 -51.17 60.08 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.215 -1.553 . . . . 0.0 112.963 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -49.26 -45.43 18.05 Favored 'Isoleucine or valine' 0 C--N 1.388 2.271 0 C-N-CA 124.738 1.215 . . . . 0.0 111.235 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.02 -37.04 65.36 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 C-N-CA 125.828 1.651 . . . . 0.0 114.074 171.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.34 -39.53 97.36 Favored Glycine 0 N--CA 1.505 3.285 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 10.1 mt -64.16 -45.69 95.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 CA-C-O 121.888 0.851 . . . . 0.0 112.216 167.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.28 -43.82 75.11 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.364 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 117.997 -2.94 . . . . 0.0 113.281 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.95 -41.62 98.19 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.499 -2.001 . . . . 0.0 113.717 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.04 -40.8 88.68 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 120.911 -1.118 . . . . 0.0 111.516 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.35 -40.8 95.61 Favored 'General case' 0 C--N 1.363 1.193 0 O-C-N 119.741 -1.849 . . . . 0.0 114.451 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -63.31 -39.88 95.79 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 119.438 -2.039 . . . . 0.0 113.232 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.4 -46.15 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 123.405 1.574 . . . . 0.0 108.301 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 tt -53.84 -42.97 69.07 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 126.259 1.824 . . . . 0.0 113.383 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.31 -26.58 66.64 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 119.06 -2.275 . . . . 0.0 114.897 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -97.38 -51.66 4.08 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.92 0.867 . . . . 0.0 109.772 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 20.8 tp -67.31 -38.91 85.73 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -121.33 57.83 1.0 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 123.566 1.65 . . . . 0.0 110.357 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -51.24 -35.41 36.79 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 129.143 2.977 . . . . 0.0 116.485 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -66.94 -33.38 75.46 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -62.33 -41.81 98.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 119.674 -1.891 . . . . 0.0 113.997 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -74.44 -20.47 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 O-C-N 120.386 -1.446 . . . . 0.0 111.845 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.96 -45.3 82.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.022 1.329 . . . . 0.0 113.107 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -62.74 -41.44 99.19 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.612 1.565 . . . . 0.0 112.144 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.0 -44.77 88.15 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.915 -1.116 . . . . 0.0 112.852 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -67.41 -40.45 85.59 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.459 -1.401 . . . . 0.0 111.969 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.7 -44.36 90.31 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 121.287 -0.883 . . . . 0.0 111.795 173.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.69 -37.27 83.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.774 -1.204 . . . . 0.0 113.85 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.06 -40.7 88.38 Favored Glycine 0 C--N 1.349 1.3 0 O-C-N 121.069 -1.02 . . . . 0.0 114.748 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.25 -39.7 93.02 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.916 1.286 . . . . 0.0 113.973 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.32 -44.55 88.67 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 126.687 1.995 . . . . 0.0 114.823 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -108.9 9.55 26.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.051 -1.031 . . . . 0.0 113.284 -171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.738 0 CA-C-O 118.029 -1.428 . . . . 0.0 113.8 -177.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.9 p -160.22 13.52 0.12 Allowed 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.838 -1.789 . . . . 0.0 115.515 -158.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -59.15 -40.47 81.42 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 119.823 -1.798 . . . . 0.0 115.523 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.5 -42.15 50.0 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.668 2.912 . . . . 0.0 117.445 162.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.85 -44.98 83.88 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 119.592 1.087 . . . . 0.0 112.526 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.97 -45.17 99.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 C-N-CA 124.12 0.968 . . . . 0.0 111.773 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.274 7.6 p -61.64 -43.57 97.28 Favored 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.6 77.72 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 119.788 -1.82 . . . . 0.0 114.32 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.18 -4.73 53.8 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 119.992 -1.692 . . . . 0.0 115.29 -164.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' D' ' 30' ' ' ALA . 11.0 p -76.49 -53.16 8.49 Favored 'General case' 0 C--N 1.374 1.647 0 CA-C-O 122.779 1.276 . . . . 0.0 113.163 161.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -46.96 -47.07 8.49 Favored 'Isoleucine or valine' 0 C--N 1.382 2.007 0 C-N-CA 125.948 1.699 . . . . 0.0 113.232 172.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.9 mt -59.43 -39.47 79.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 O-C-N 120.19 -1.569 . . . . 0.0 113.352 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.89 47.87 Favored Glycine 0 C--N 1.355 1.619 0 C-N-CA 125.67 1.605 . . . . 0.0 115.158 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.45 -44.33 98.8 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 C-N-CA 124.963 1.305 . . . . 0.0 111.778 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 39' ' ' ILE . 28.1 tp -51.79 -40.36 60.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 124.556 1.142 . . . . 0.0 113.883 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.42 -37.58 83.99 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 118.862 -2.399 . . . . 0.0 115.273 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -40.74 72.7 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 36' ' ' LEU . 58.6 mt -57.03 -47.07 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.394 -0.816 . . . . 0.0 111.176 172.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.83 -39.01 90.32 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.456 ' CZ2' ' NH1' ' A' ' 45' ' ' ARG . 63.0 t-105 -60.19 -44.42 95.1 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 119.811 -1.805 . . . . 0.0 112.647 174.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.67 -41.39 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.198 . . . . 0.0 109.856 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -56.33 -36.21 68.47 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 124.594 1.158 . . . . 0.0 113.912 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -62.18 -47.75 83.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.829 1.195 . . . . 0.0 113.055 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CZ2' ' A' ' 41' ' ' TRP . 1.1 mmm-85 -73.45 -45.31 55.1 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 119.955 -1.716 . . . . 0.0 114.042 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.32 -32.34 22.53 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.944 -1.722 . . . . 0.0 114.882 -167.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -127.11 53.09 1.74 Allowed 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.299 -0.875 . . . . 0.0 109.674 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -54.84 -29.96 56.3 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 128.451 2.7 . . . . 0.0 118.06 -168.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -58.48 -38.51 77.75 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.487 -1.383 . . . . 0.0 113.399 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.7 m -61.09 -47.15 87.63 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.59 -24.86 18.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 119.927 -1.733 . . . . 0.0 111.299 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.3 -45.7 92.46 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.285 1.034 . . . . 0.0 111.823 170.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.96 -40.58 98.12 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 113.459 172.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -64.21 -43.3 95.43 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.84 -44.23 86.14 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.882 -1.136 . . . . 0.0 113.981 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.11 -41.92 93.59 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.257 -1.527 . . . . 0.0 111.917 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -62.88 -36.45 83.34 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.955 1.302 . . . . 0.0 113.564 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.52 54.99 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 120.231 -1.543 . . . . 0.0 112.427 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.03 -48.65 70.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 121.382 -1.069 . . . . 0.0 113.118 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.36 -44.02 84.39 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.346 -1.471 . . . . 0.0 113.735 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -97.99 -11.75 22.7 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.213 -1.554 . . . . 0.0 114.267 -169.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.604 0 O-C-N 121.108 -0.995 . . . . 0.0 112.23 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.502 2.137 0 CA-C-O 121.266 0.555 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t -155.64 54.53 0.61 Allowed 'General case' 0 C--N 1.343 0.321 0 O-C-N 120.006 -1.684 . . . . 0.0 107.021 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.69 -43.56 88.39 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 115.757 -2.068 . . . . 0.0 116.014 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.29 -37.88 93.24 Favored 'Trans proline' 0 C--N 1.352 0.742 0 CA-C-N 126.086 3.209 . . . . 0.0 113.462 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.23 89.24 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 123.668 0.787 . . . . 0.0 113.004 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -63.15 -44.14 99.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 O-C-N 120.942 -1.099 . . . . 0.0 112.201 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.66 -48.96 86.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 O-C-N 120.75 -1.219 . . . . 0.0 111.802 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.26 78.83 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.239 -1.538 . . . . 0.0 114.915 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.84 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 87.4 p -70.04 -48.47 57.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.154 -1.592 . . . . 0.0 111.461 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -49.66 -46.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.377 1.804 0 C-N-CA 125.397 1.479 . . . . 0.0 111.853 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 mt -58.35 -42.88 85.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.354 -1.466 . . . . 0.0 114.642 170.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.53 -46.36 58.67 Favored Glycine 0 C--N 1.353 1.478 0 O-C-N 120.558 -1.339 . . . . 0.0 115.298 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 51.4 mt -61.84 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.163 0 C-N-CA 124.411 1.084 . . . . 0.0 110.139 172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.04 -40.47 61.15 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.465 1.506 . . . . 0.0 111.686 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -59.32 -38.09 79.43 Favored 'General case' 0 C--N 1.396 2.616 0 O-C-N 119.004 -2.31 . . . . 0.0 114.646 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 tp -74.76 -35.1 62.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.287 -1.508 . . . . 0.0 110.886 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.49 -44.24 98.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 120.717 -1.239 . . . . 0.0 110.093 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.6 mt -59.58 -40.67 88.17 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.613 -1.304 . . . . 0.0 113.87 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -62.96 -41.48 99.54 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.598 -1.314 . . . . 0.0 114.376 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.82 -44.47 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 124.792 2.234 . . . . 0.0 110.945 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.03 -24.39 62.8 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 124.053 1.882 . . . . 0.0 113.949 173.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.42 -46.16 77.47 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 117.9 -3.0 . . . . 0.0 114.155 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -71.3 -46.75 60.02 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 118.733 2.864 . . . . 0.0 118.733 -168.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.04 3.84 9.89 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 122.911 1.338 . . . . 0.0 111.62 -170.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -120.92 25.73 9.49 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 170.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -44.38 -28.17 0.52 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 130.997 3.719 . . . . 0.0 118.114 -168.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -62.11 -40.56 96.31 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 60.9 m -66.03 -43.48 87.44 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 119.47 -2.019 . . . . 0.0 115.471 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 tp -76.51 -20.89 14.99 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 O-C-N 119.615 -1.928 . . . . 0.0 112.678 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -62.51 -45.84 91.15 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.132 0.973 . . . . 0.0 111.006 165.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -65.47 -38.55 90.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.88 1.672 . . . . 0.0 113.47 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -63.07 -45.94 89.78 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.173 -1.579 . . . . 0.0 112.362 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -65.19 -41.84 94.15 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.745 -1.222 . . . . 0.0 113.435 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -59.46 -42.15 91.33 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 121.121 -0.987 . . . . 0.0 111.375 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -59.86 -43.32 94.73 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.872 -1.143 . . . . 0.0 113.274 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.72 -36.33 66.82 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 120.333 -1.479 . . . . 0.0 113.773 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.97 -42.76 69.29 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -87.14 -20.78 26.55 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.322 -1.486 . . . . 0.0 113.954 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -106.19 19.17 20.93 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.25 -1.531 . . . . 0.0 110.828 174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.629 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.78 178.35 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.713 0.768 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -129.66 104.99 7.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 120.643 -1.285 . . . . 0.0 107.876 167.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -60.22 -44.37 96.06 Favored Pre-proline 0 C--N 1.351 0.645 0 CA-C-O 116.791 -1.576 . . . . 0.0 114.571 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -68.74 -25.84 33.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 CA-C-N 124.972 2.811 . . . . 0.0 113.124 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.5 -46.18 77.09 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 119.387 0.994 . . . . 0.0 113.136 169.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.82 -44.39 98.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 O-C-N 121.23 -0.919 . . . . 0.0 112.588 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -59.66 -48.13 88.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 124.376 1.07 . . . . 0.0 111.757 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.31 78.27 Favored 'General case' 0 N--CA 1.444 -0.74 0 O-C-N 120.416 -1.428 . . . . 0.0 114.518 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.34 96.21 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 37.9 p -68.92 -50.34 50.33 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 119.869 -1.77 . . . . 0.0 112.339 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -44.85 -49.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.396 2.615 0 C-N-CA 125.262 1.425 . . . . 0.0 111.29 164.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.11 -39.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 C-N-CA 125.837 1.655 . . . . 0.0 115.334 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -37.45 94.28 Favored Glycine 0 C--N 1.35 1.351 0 O-C-N 119.974 -1.704 . . . . 0.0 114.682 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 -44.61 94.28 Favored 'Isoleucine or valine' 0 C--N 1.372 1.582 0 O-C-N 121.015 -1.286 . . . . 0.0 110.9 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -51.84 -44.58 63.66 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.832 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.62 -33.68 71.81 Favored 'General case' 0 C--N 1.376 1.76 0 O-C-N 118.317 -2.74 . . . . 0.0 114.879 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 tp -70.31 -42.77 71.54 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 123.353 0.661 . . . . 0.0 110.481 173.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -59.07 -45.04 92.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 O-C-N 121.563 -0.711 . . . . 0.0 110.29 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.43 -40.55 87.12 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 119.561 -1.962 . . . . 0.0 113.473 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -44.5 96.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 126.486 3.041 . . . . 0.0 109.826 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.34 -16.81 61.54 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.96 -48.15 22.31 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.982 -1.699 . . . . 0.0 112.677 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -76.52 -45.79 29.33 Favored 'General case' 0 C--N 1.366 1.305 0 O-C-N 118.62 -2.55 . . . . 0.0 112.588 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -77.21 -35.11 55.93 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 121.089 -1.007 . . . . 0.0 113.291 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.15 35.26 4.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.536 1.134 . . . . 0.0 110.512 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -20.91 -56.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 131.29 3.836 . . . . 0.0 118.01 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -29.96 -55.02 0.17 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 129.165 2.986 . . . . 0.0 118.617 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.72 83.8 Favored 'General case' 0 C--N 1.342 0.26 0 O-C-N 119.756 -1.84 . . . . 0.0 115.289 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 17.7 mm -70.23 -34.02 57.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 119.319 -2.113 . . . . 0.0 111.98 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -59.37 -40.6 87.02 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 122.619 1.199 . . . . 0.0 112.782 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.95 -44.95 94.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 127.989 2.516 . . . . 0.0 114.631 169.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.73 -46.15 89.44 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.211 1.804 . . . . 0.0 112.088 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -43.43 98.86 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.096 1.758 . . . . 0.0 112.716 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.5 -43.98 96.48 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.281 1.032 . . . . 0.0 112.235 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -60.68 -40.55 92.56 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.737 -1.227 . . . . 0.0 112.126 175.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.07 -38.2 83.51 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 119.93 -1.731 . . . . 0.0 115.938 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.14 -45.79 66.08 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 118.953 1.377 . . . . 0.0 112.958 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -70.73 -42.88 69.96 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 -14.99 53.95 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 119.94 -1.725 . . . . 0.0 112.44 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 C-N-CA 124.465 1.031 . . . . 0.0 113.303 179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.501 2.112 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -140.36 158.63 43.72 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.206 -1.559 . . . . 0.0 111.974 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -45.04 28.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.073 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -57.18 -40.95 78.99 Favored 'Trans proline' 0 CA--C 1.511 -0.634 0 CA-C-N 125.445 2.98 . . . . 0.0 116.582 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.1 tp -65.67 -38.4 89.21 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 118.957 0.799 . . . . 0.0 111.809 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.01 -47.9 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 120.527 -1.358 . . . . 0.0 112.168 175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -61.59 -46.22 97.02 Favored 'Isoleucine or valine' 0 C--N 1.373 1.622 0 C-N-CA 127.06 2.144 . . . . 0.0 112.029 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -48.7 69.65 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . -71.58 -32.21 67.8 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.395 -2.066 . . . . 0.0 115.211 -170.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 19.0 p -67.48 -53.4 29.1 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.224 -0.922 . . . . 0.0 111.993 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . 0.315 13.2 tt -49.82 -40.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.13 -40.28 82.97 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 O-C-N 119.777 -1.827 . . . . 0.0 113.247 171.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.58 -43.94 95.83 Favored Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.235 -0.916 . . . . 0.0 113.408 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -62.12 -46.65 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 122.064 0.935 . . . . 0.0 109.592 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.97 -38.63 62.31 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 114.954 -1.021 . . . . 0.0 113.099 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -58.65 -39.66 81.21 Favored 'General case' 0 C--N 1.393 2.476 0 O-C-N 116.711 -3.743 . . . . 0.0 115.627 171.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 tp -68.73 -39.59 80.31 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.668 -1.27 . . . . 0.0 111.274 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 14.9 mm -59.14 -43.16 88.78 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 C-N-CA 125.172 1.389 . . . . 0.0 110.006 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.48 -37.21 86.15 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 172.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 -63.56 -44.22 94.76 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 118.962 -2.336 . . . . 0.0 113.937 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 124.106 0.962 . . . . 0.0 109.122 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.65 -40.41 69.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 124.152 0.907 . . . . 0.0 112.812 170.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.02 -45.4 93.73 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 119.461 -2.024 . . . . 0.0 111.839 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -79.67 -32.55 41.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.93 -25.04 13.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.098 -1.626 . . . . 0.0 114.107 -172.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -131.49 31.67 4.28 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.415 1.486 . . . . 0.0 109.582 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -42.55 -21.86 0.02 OUTLIER 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.928 3.291 . . . . 0.0 118.11 -169.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.55 -42.02 95.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 119.449 -2.032 . . . . 0.0 115.395 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -61.57 -45.12 95.48 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.705 -1.247 . . . . 0.0 113.402 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 6.5 tp -84.18 -18.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.346 0.446 0 O-C-N 120.074 -1.642 . . . . 0.0 112.468 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -63.49 -47.35 82.1 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 119.583 -1.948 . . . . 0.0 111.574 166.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -72.45 -29.66 63.88 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -63.37 -42.74 98.88 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.095 0.958 . . . . 0.0 112.156 168.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -41.42 77.76 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 120.199 -1.563 . . . . 0.0 111.741 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.89 -45.95 85.66 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 120.932 -1.105 . . . . 0.0 112.013 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -60.9 -39.83 90.82 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.323 1.049 . . . . 0.0 112.722 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.81 -38.01 56.79 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.75 -1.219 . . . . 0.0 113.471 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.62 -48.27 55.91 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.59 -40.78 84.79 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.524 -1.36 . . . . 0.0 113.934 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -102.35 17.98 22.16 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.77 -1.206 . . . . 0.0 111.892 -173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.908 0 CA-C-O 117.49 -1.728 . . . . 0.0 113.857 178.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.5 2.066 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -112.02 8.03 20.01 Favored 'General case' 0 C--N 1.374 1.631 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -161.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.48 -42.21 95.12 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-O 115.361 -2.257 . . . . 0.0 114.356 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -64.4 -33.27 58.79 Favored 'Trans proline' 0 C--N 1.349 0.575 0 CA-C-N 127.096 3.57 . . . . 0.0 114.582 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tt -65.24 -47.08 78.06 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.949 1.704 . . . . 0.0 111.628 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.4 -44.53 99.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 121.217 -0.927 . . . . 0.0 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.17 -45.07 95.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.473 -1.392 . . . . 0.0 112.514 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.02 97.28 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.585 -1.322 . . . . 0.0 114.145 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.22 73.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 p -63.78 -50.51 68.71 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-O 123.26 1.505 . . . . 0.0 112.904 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -50.06 -51.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 126.052 1.741 . . . . 0.0 112.126 167.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.21 -40.17 82.83 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 O-C-N 119.566 -1.959 . . . . 0.0 113.542 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.47 -47.6 56.63 Favored Glycine 0 CA--C 1.493 -1.304 0 O-C-N 119.565 -1.959 . . . . 0.0 115.605 171.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.51 -43.93 90.54 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.066 0 CA-C-O 124.7 2.19 . . . . 0.0 110.995 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.39 -44.63 65.44 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.25 -41.12 92.52 Favored 'General case' 0 C--N 1.369 1.447 0 O-C-N 117.604 -3.185 . . . . 0.0 112.004 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD22 HG23 ' D' ' 33' ' ' ILE . 26.0 tp -58.4 -42.53 87.37 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 122.914 1.34 . . . . 0.0 114.234 169.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.62 -42.9 97.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.544 0 O-C-N 118.709 -2.494 . . . . 0.0 111.103 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.31 -33.79 74.18 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 119.131 -2.231 . . . . 0.0 113.605 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -60.06 -43.4 95.44 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 119.42 -2.05 . . . . 0.0 114.513 170.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.4 mm -60.3 -43.45 93.62 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 CA-C-O 123.523 1.63 . . . . 0.0 109.695 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -58.39 -40.54 82.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.34 -45.32 80.59 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 118.296 -2.752 . . . . 0.0 114.109 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -92.49 -27.87 17.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 tp -100.75 -31.63 11.1 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 116.771 -3.706 . . . . 0.0 115.134 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.66 54.16 0.86 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.491 1.516 . . . . 0.0 110.522 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.24 -38.72 0.23 Allowed 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 120.147 3.388 . . . . 0.0 120.147 -175.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -65.34 -42.49 92.83 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.887 2.181 . . . . 0.0 116.887 -174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.1 m -64.52 -38.28 90.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.826 -1.796 . . . . 0.0 114.894 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 tp -83.28 0.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 111.446 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -70.29 -47.66 60.18 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 120.669 -1.269 . . . . 0.0 110.818 159.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -65.8 -41.55 91.77 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.665 -1.272 . . . . 0.0 113.613 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -64.18 -46.1 85.46 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.97 -42.33 94.66 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.09 -42.81 91.34 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.958 1.303 . . . . 0.0 111.843 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -62.17 -43.87 97.87 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.08 81.13 Favored Glycine 0 C--N 1.349 1.295 0 O-C-N 121.517 -0.739 . . . . 0.0 114.805 177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.35 -55.24 5.04 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.107 -1.231 . . . . 0.0 114.267 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -64.67 -35.86 82.39 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 120.685 -1.26 . . . . 0.0 113.227 -172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -117.04 14.31 14.97 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -170.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.491 -1.843 . . . . 0.0 108.491 163.035 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.494 8.5 t . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m -102.34 40.46 1.35 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 118.328 -2.732 . . . . 0.0 108.189 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.39 -41.98 86.51 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -56.88 -38.87 94.89 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 CA-C-N 124.525 2.652 . . . . 0.0 114.309 173.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.9 -48.09 82.05 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.67 -45.44 95.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.691 -1.255 . . . . 0.0 113.401 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.04 -44.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.94 -1.1 . . . . 0.0 110.881 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.48 92.81 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.438 -1.414 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.17 84.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.536 -1.352 . . . . 0.0 113.861 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 56.6 p -63.87 -50.89 67.05 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.042 -1.036 . . . . 0.0 112.572 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.11 -52.28 4.66 Favored 'Isoleucine or valine' 0 C--N 1.372 1.55 0 C-N-CA 126.064 1.746 . . . . 0.0 111.115 165.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.7 -35.58 71.27 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 119.613 -1.929 . . . . 0.0 113.358 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -34.57 88.42 Favored Glycine 0 N--CA 1.477 1.433 0 O-C-N 119.03 -2.294 . . . . 0.0 115.493 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.94 -43.82 81.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 CA-C-O 123.572 1.653 . . . . 0.0 110.114 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -42.38 87.31 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 120.057 -1.652 . . . . 0.0 112.745 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -58.02 -43.08 86.52 Favored 'General case' 0 C--N 1.388 2.251 0 O-C-N 117.058 -3.526 . . . . 0.0 111.737 170.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -58.75 -42.97 90.1 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.457 -1.402 . . . . 0.0 113.5 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.81 -40.56 85.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 C-N-CA 123.792 0.837 . . . . 0.0 111.394 172.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.82 -24.36 63.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 119.994 -1.691 . . . . 0.0 114.603 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -68.23 -39.21 82.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 O-C-N 118.813 -2.43 . . . . 0.0 114.168 166.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' B' ' 46' ' ' LEU . 69.6 mt -65.59 -43.76 93.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 177.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -50.97 -50.42 58.21 Favored 'General case' 0 C--N 1.375 1.697 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 165.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.58 -50.47 71.17 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 118.12 -2.862 . . . . 0.0 115.904 -177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -92.23 -32.83 14.91 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.177 -1.577 . . . . 0.0 113.374 -175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' B' ' 42' ' ' ILE . 26.7 tp -89.33 -31.31 17.87 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.725 -1.859 . . . . 0.0 113.556 -175.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -124.06 45.32 2.51 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 122.973 1.368 . . . . 0.0 108.181 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -38.6 -25.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 1 C-N-CA 132.958 4.503 . . . . 0.0 118.266 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -40.67 93.63 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 116.131 1.901 . . . . 0.0 116.131 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.0 m -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 119.052 -2.28 . . . . 0.0 113.518 -178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -14.18 16.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.453 -1.404 . . . . 0.0 112.227 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.39 -48.47 72.78 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.858 0.837 . . . . 0.0 111.518 169.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mmt-85 -63.05 -43.01 99.82 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.681 1.192 . . . . 0.0 113.203 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.66 -47.42 85.45 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.426 1.49 . . . . 0.0 113.149 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.6 -43.51 93.57 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.878 -1.139 . . . . 0.0 113.468 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.78 -42.22 97.07 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.172 -0.955 . . . . 0.0 112.075 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 40.5 t60 -59.21 -44.7 92.27 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.086 -1.009 . . . . 0.0 112.762 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.91 -34.38 76.95 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 120.641 -1.287 . . . . 0.0 115.365 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.95 -47.32 65.96 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.855 1.328 . . . . 0.0 113.244 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -68.43 -46.37 70.06 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.049 -1.032 . . . . 0.0 112.876 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.455 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 54.6 mtt180 -103.55 1.65 32.47 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.528 -1.357 . . . . 0.0 111.644 179.349 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -156.59 103.04 2.09 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 106.897 -1.519 . . . . 0.0 106.897 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -56.3 -39.79 80.16 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.36 -34.14 77.92 Favored 'Trans proline' 0 CA--C 1.507 -0.843 0 CA-C-N 125.251 2.911 . . . . 0.0 116.244 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.15 -47.12 78.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 122.219 1.009 . . . . 0.0 111.195 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.3 -45.27 96.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 125.507 1.523 . . . . 0.0 112.42 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -66.23 -43.4 91.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 O-C-N 120.544 -1.347 . . . . 0.0 113.142 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.922 -1.111 . . . . 0.0 113.876 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.02 -35.31 76.54 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -62.47 -50.03 73.06 Favored 'General case' 0 C--N 1.392 2.449 0 C-N-CA 124.207 1.003 . . . . 0.0 112.615 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.415 HG13 ' H ' ' C' ' 32' ' ' ILE . 10.0 mt -40.72 -46.09 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.554 0 O-C-N 126.184 2.178 . . . . 0.0 113.322 172.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.48 -36.44 77.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 127.468 2.307 . . . . 0.0 113.979 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.45 -39.4 87.23 Favored Glycine 0 C--N 1.389 3.489 0 O-C-N 117.577 -3.202 . . . . 0.0 113.15 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.51 -39.3 82.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 127.946 3.736 . . . . 0.0 114.357 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.33 -40.44 86.34 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 116.587 -3.821 . . . . 0.0 113.888 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.16 -41.8 93.57 Favored 'General case' 0 C--N 1.369 1.434 1 O-C-N 116.044 -4.16 . . . . 0.0 113.516 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.93 -41.31 97.8 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.326 -1.484 . . . . 0.0 112.532 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -58.96 -41.58 83.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 O-C-N 120.629 -1.294 . . . . 0.0 110.343 173.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 -32.16 73.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 125.43 1.492 . . . . 0.0 114.366 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -41.11 87.02 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 118.84 -2.412 . . . . 0.0 113.583 170.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 68.6 mt -64.64 -41.09 91.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.59 -45.78 84.85 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -64.0 -48.34 76.76 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 118.468 -2.645 . . . . 0.0 113.484 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -93.28 -29.14 15.81 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 119.192 -2.193 . . . . 0.0 113.077 -169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tp -104.87 -19.14 13.98 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 121.039 -1.038 . . . . 0.0 112.682 -171.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -134.89 43.94 2.67 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 125.033 1.333 . . . . 0.0 109.646 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -39.08 -39.33 0.56 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 129.838 3.255 . . . . 0.0 117.143 -171.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -49.29 -38.06 26.11 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 119.215 3.043 . . . . 0.0 119.215 -175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 53.3 m -67.9 -42.07 81.75 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 118.777 -2.452 . . . . 0.0 115.531 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 tp -70.49 -20.99 22.8 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 119.225 -2.172 . . . . 0.0 111.875 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.8 -44.74 95.36 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.733 1.213 . . . . 0.0 112.416 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -65.0 -40.51 95.05 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.211 1.404 . . . . 0.0 113.256 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.85 -48.09 83.11 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 125.418 1.487 . . . . 0.0 112.176 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -63.68 -40.03 95.81 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.951 -1.093 . . . . 0.0 113.89 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -59.34 -43.41 92.75 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 124.281 1.032 . . . . 0.0 112.467 176.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -61.41 -42.1 98.2 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.527 1.531 . . . . 0.0 112.25 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.48 -41.39 90.56 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 114.497 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.35 -44.44 87.71 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.149 -1.207 . . . . 0.0 112.535 173.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -64.46 -42.33 96.0 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 120.391 -1.443 . . . . 0.0 114.68 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -111.34 7.35 20.95 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.221 -1.549 . . . . 0.0 114.063 -168.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.698 0 O-C-N 120.275 -1.516 . . . . 0.0 114.97 -179.553 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 122.168 0.985 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 42.6 p -162.56 177.01 9.81 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -169.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -60.05 -46.1 98.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -52.28 -45.21 40.93 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 124.192 3.261 . . . . 0.0 116.546 -166.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.41 -45.09 94.69 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.187 0.903 . . . . 0.0 112.674 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 76.9 t -65.65 -42.74 93.4 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 125.221 1.408 . . . . 0.0 112.989 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.34 -47.26 93.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 110.994 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.91 92.79 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.607 1.163 . . . . 0.0 113.787 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.21 74.17 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.126 1.37 . . . . 0.0 113.773 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 18.5 p -63.02 -52.57 62.37 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.287 1.042 . . . . 0.0 112.314 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.17 -47.89 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 114.925 -1.034 . . . . 0.0 113.312 166.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.468 HG23 HD22 ' A' ' 38' ' ' LEU . 75.9 mt -59.26 -37.52 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 O-C-N 119.74 -1.85 . . . . 0.0 113.999 174.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.83 -38.82 89.68 Favored Glycine 0 N--CA 1.505 3.254 0 O-C-N 120.762 -1.211 . . . . 0.0 113.885 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -60.51 -47.63 91.89 Favored 'Isoleucine or valine' 0 C--N 1.375 1.711 0 CA-C-O 125.055 2.359 . . . . 0.0 110.801 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.67 -45.45 73.88 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.053 -1.654 . . . . 0.0 113.236 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -58.4 -33.31 69.5 Favored 'General case' 0 C--N 1.393 2.498 0 O-C-N 117.416 -3.302 . . . . 0.0 113.851 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.8 -40.38 88.09 Favored 'General case' 0 N--CA 1.44 -0.932 0 O-C-N 119.855 -1.778 . . . . 0.0 111.926 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 8.0 mt -61.33 -41.06 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.762 1.225 . . . . 0.0 109.001 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.48 -34.29 76.55 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.715 -1.24 . . . . 0.0 112.431 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -61.92 -42.62 99.3 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 119.668 -1.895 . . . . 0.0 114.655 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -61.75 -45.36 98.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.851 -1.156 . . . . 0.0 108.834 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 tp -55.26 -44.21 75.38 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 126.931 2.092 . . . . 0.0 114.401 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.59 -48.2 67.54 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.958 -1.714 . . . . 0.0 113.027 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -75.61 -44.5 42.59 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 16.3 tp -100.3 -24.49 14.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.447 -0.783 . . . . 0.0 111.736 -166.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.96 36.11 4.24 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 121.023 -1.048 . . . . 0.0 113.113 -170.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -35.46 -28.87 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 121.734 3.975 . . . . 0.0 121.734 -168.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -63.65 -37.57 87.83 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 119.194 -2.191 . . . . 0.0 116.91 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -66.45 -44.25 83.32 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.473 -2.017 . . . . 0.0 116.144 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -77.55 -10.12 12.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 O-C-N 119.726 -1.859 . . . . 0.0 111.718 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.29 -46.07 88.51 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 125.582 1.553 . . . . 0.0 112.631 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -66.95 -38.54 86.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.972 1.309 . . . . 0.0 113.232 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.1 -48.83 80.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.274 1.429 . . . . 0.0 111.906 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.23 -42.03 96.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.22 1.408 . . . . 0.0 113.729 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.11 -45.64 90.38 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 120.611 -1.306 . . . . 0.0 111.987 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -61.43 -38.94 88.96 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.104 0.961 . . . . 0.0 113.202 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.68 -43.29 94.56 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 114.148 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.98 -41.6 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.086 -1.243 . . . . 0.0 114.118 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -66.44 -40.59 89.56 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.946 -1.721 . . . . 0.0 115.492 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -107.72 17.57 22.42 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.138 -1.602 . . . . 0.0 111.396 -171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 O-C-N 121.387 -0.82 . . . . 0.0 112.847 -178.721 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.296 25.0 m . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 p -130.13 9.74 5.3 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 118.649 -2.532 . . . . 0.0 117.047 -168.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.48 -43.68 99.11 Favored Pre-proline 0 C--N 1.352 0.678 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.55 -38.39 73.32 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-N 125.475 2.991 . . . . 0.0 113.595 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.24 -46.65 73.12 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.171 1.388 . . . . 0.0 113.47 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.25 -43.29 97.22 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.973 -1.08 . . . . 0.0 113.266 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -63.73 -45.21 97.96 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 120.621 -1.299 . . . . 0.0 111.471 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.97 95.03 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.565 -1.334 . . . . 0.0 113.986 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.67 95.26 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.9 p -60.26 -51.27 70.25 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-O 123.555 1.645 . . . . 0.0 112.881 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.6 mt -48.67 -54.4 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 127.698 2.399 . . . . 0.0 111.398 167.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.4 -40.62 88.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 O-C-N 119.561 -1.962 . . . . 0.0 115.074 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.52 -50.06 37.33 Favored Glycine 0 C--N 1.349 1.302 0 O-C-N 120.049 -1.657 . . . . 0.0 116.089 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.5 mt -65.06 -42.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 O-C-N 121.135 -1.215 . . . . 0.0 110.933 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.44 -38.58 69.19 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.213 1.005 . . . . 0.0 112.767 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -44.23 96.93 Favored 'General case' 0 C--N 1.407 3.087 0 O-C-N 117.451 -3.281 . . . . 0.0 114.648 169.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.3 -38.94 93.1 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.013 -1.054 . . . . 0.0 111.892 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.18 -43.73 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.19 -0.944 . . . . 0.0 110.037 172.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.68 -38.1 86.56 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 120.365 -1.459 . . . . 0.0 113.591 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -60.83 -44.76 96.5 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.825 -1.797 . . . . 0.0 113.424 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.7 mm -65.52 -41.81 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 O-C-N 119.767 -1.833 . . . . 0.0 112.193 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 tt -49.94 -52.08 36.19 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.498 1.519 . . . . 0.0 112.283 165.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.78 -49.03 79.13 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 119.348 -2.095 . . . . 0.0 114.955 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -75.33 -37.53 60.67 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.5 tp -99.62 -20.49 16.31 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.99 61.28 0.9 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 123.679 1.704 . . . . 0.0 109.957 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -55.37 -33.03 63.06 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 130.534 3.534 . . . . 0.0 115.825 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -66.53 -41.36 88.86 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.19 -1.569 . . . . 0.0 113.461 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -63.49 -34.32 77.53 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 120.007 -1.683 . . . . 0.0 115.143 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.98 0.09 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 123.176 1.465 . . . . 0.0 110.503 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -86.07 -39.34 16.87 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.094 -1.003 . . . . 0.0 112.02 172.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.06 -39.58 95.16 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.013 -1.68 . . . . 0.0 112.086 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -59.87 -49.65 76.87 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.139 1.376 . . . . 0.0 112.238 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -62.55 -47.28 84.54 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.989 -1.07 . . . . 0.0 113.279 173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.49 -41.93 88.18 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.171 -1.581 . . . . 0.0 113.588 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CE1' ' HE ' ' A' ' 61' ' ' ARG . 45.7 t60 -73.97 -20.7 60.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.746 -1.221 . . . . 0.0 112.797 176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.87 -36.27 73.73 Favored Glycine 0 C--N 1.355 1.587 0 O-C-N 119.065 -2.272 . . . . 0.0 113.629 168.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.83 -46.45 87.9 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.379 -1.071 . . . . 0.0 110.192 172.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.22 -39.49 92.84 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HE ' ' CE1' ' A' ' 57' ' ' HIS . 20.8 mmt180 -118.0 -9.86 10.49 Favored 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -166.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 O-C-N 118.634 -2.541 . . . . 0.0 113.639 -179.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 1.124 1.8 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 120.059 3.355 . . . . 0.0 120.059 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 22.1 m -84.36 44.29 1.02 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 121.35 1.887 . . . . 0.0 109.755 -170.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -63.61 -43.8 78.87 Favored Pre-proline 0 N--CA 1.443 -0.815 0 C-N-CA 130.112 3.365 . . . . 0.0 115.016 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -56.0 -38.7 94.33 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 CA-C-N 124.747 2.731 . . . . 0.0 114.116 174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -46.73 85.06 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 113.19 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.99 -44.65 97.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.98 -1.075 . . . . 0.0 113.068 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -44.96 94.34 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.543 -1.348 . . . . 0.0 112.4 174.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.55 91.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.758 -1.214 . . . . 0.0 112.631 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.28 90.51 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.7 m -62.9 -60.5 3.38 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 121.911 0.862 . . . . 0.0 111.247 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -41.09 -54.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.351 167.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.406 HG23 HD22 ' C' ' 38' ' ' LEU . 6.2 mt -61.34 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 O-C-N 120.077 -1.639 . . . . 0.0 114.706 176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.91 -51.23 35.21 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 119.556 -1.965 . . . . 0.0 115.357 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.56 -48.4 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.275 0 C-N-CA 127.615 2.366 . . . . 0.0 109.902 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.6 tp -49.4 -45.14 45.77 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.279 175.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -59.74 -41.34 90.71 Favored 'General case' 0 C--N 1.405 3.01 0 O-C-N 118.209 -2.807 . . . . 0.0 112.794 173.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.08 -40.25 88.91 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.732 -1.23 . . . . 0.0 112.714 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.97 -40.64 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 121.433 -0.792 . . . . 0.0 111.583 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.5 -37.04 79.81 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.318 -1.489 . . . . 0.0 113.686 173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -60.39 -44.87 95.25 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.067 -1.646 . . . . 0.0 112.512 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.56 -41.77 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.142 -1.598 . . . . 0.0 111.368 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.4 mt -57.44 -34.74 69.28 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.691 1.597 . . . . 0.0 114.631 171.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.34 -49.99 61.76 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.8 1.64 . . . . 0.0 114.314 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -92.11 -21.04 20.65 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 119.834 -1.791 . . . . 0.0 115.8 -168.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 27.8 tp -88.01 -27.81 21.81 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 120.099 -1.626 . . . . 0.0 113.079 175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -132.49 49.5 2.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -165.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.77 -20.49 15.06 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.388 3.075 . . . . 0.0 113.567 -173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -57.26 -34.22 68.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 120.303 -1.498 . . . . 0.0 113.983 174.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 72.2 m -62.04 -40.6 96.3 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.267 -1.521 . . . . 0.0 113.53 171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mm -73.78 -28.35 24.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 C-N-CA 125.383 1.473 . . . . 0.0 110.418 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.38 -44.33 91.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.401 1.08 . . . . 0.0 112.726 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -63.93 -42.93 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.794 -1.191 . . . . 0.0 112.977 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.17 -46.64 79.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.782 -1.199 . . . . 0.0 113.451 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -43.14 94.48 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 119.82 -1.8 . . . . 0.0 113.034 175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.89 -40.71 98.37 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.71 -1.244 . . . . 0.0 113.263 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . 0.409 ' CE1' ' HE ' ' B' ' 61' ' ' ARG . 74.4 t60 -56.92 -42.25 79.64 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.649 -1.282 . . . . 0.0 111.874 169.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.38 -15.32 79.01 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 115.201 0.84 . . . . 0.0 115.201 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 98.5 mt -84.01 -44.5 14.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.12 -1.224 . . . . 0.0 112.072 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -66.31 -41.95 88.97 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.409 ' HE ' ' CE1' ' B' ' 57' ' ' HIS . 0.7 OUTLIER -116.95 128.5 55.27 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 1 N-CA-C 101.839 -4.504 . . . . 0.0 101.839 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.311 0.5 OUTLIER . . . . . 0 CA--C 1.466 -2.251 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 69.6 p -82.04 125.72 31.14 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 166.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.66 -43.65 78.07 Favored Pre-proline 0 N--CA 1.446 -0.658 0 N-CA-C 117.602 2.445 . . . . 0.0 117.602 -174.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -61.29 -37.19 74.97 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 CA-C-N 124.426 2.617 . . . . 0.0 114.197 -167.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -47.85 81.87 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.083 1.353 . . . . 0.0 113.615 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.44 -45.51 92.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 124.33 1.052 . . . . 0.0 112.068 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.2 -47.14 91.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 123.392 0.677 . . . . 0.0 111.602 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.36 98.34 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.471 -1.393 . . . . 0.0 114.031 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.16 96.7 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 113.738 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 60.4 p -62.19 -54.86 34.9 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -40.49 -54.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.683 0 C-N-CA 126.026 1.73 . . . . 0.0 112.071 165.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . 0.258 89.6 mt -63.96 -35.64 74.1 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.368 -1.458 . . . . 0.0 113.874 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.74 96.51 Favored Glycine 0 N--CA 1.479 1.508 0 O-C-N 119.365 -2.085 . . . . 0.0 114.855 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.22 -46.82 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-O 125.12 2.39 . . . . 0.0 112.851 166.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.33 -39.21 66.83 Favored 'General case' 0 C--N 1.291 -1.936 0 CA-C-N 112.767 -2.015 . . . . 0.0 114.12 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -34.29 73.32 Favored 'General case' 0 C--N 1.361 1.08 0 O-C-N 118.224 -2.798 . . . . 0.0 114.757 170.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.406 HD22 HG23 ' B' ' 33' ' ' ILE . 41.6 tp -66.04 -40.71 91.2 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 118.97 0.804 . . . . 0.0 110.346 175.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.77 -43.35 98.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 123.523 0.729 . . . . 0.0 111.431 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.46 -31.23 71.92 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 120.797 -1.19 . . . . 0.0 113.789 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -63.19 -44.99 93.84 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 119.785 -1.822 . . . . 0.0 113.5 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.26 -37.55 76.16 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-O 122.886 1.327 . . . . 0.0 110.281 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.57 -38.58 72.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.406 2.282 . . . . 0.0 113.092 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.66 -48.34 66.94 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.314 -2.116 . . . . 0.0 113.553 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -72.78 -45.39 58.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 120.072 -1.642 . . . . 0.0 114.657 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -97.97 -20.89 17.15 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 119.239 -2.163 . . . . 0.0 112.887 -166.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.351 39.0 p90 -140.65 60.23 1.53 Allowed 'General case' 0 C--N 1.362 1.124 0 CA-C-O 123.313 1.53 . . . . 0.0 112.654 169.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 127.951 2.5 . . . . 0.0 117.221 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -29.05 -48.66 0.07 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 120.018 3.34 . . . . 0.0 120.018 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -71.9 -41.66 67.68 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 118.663 -2.523 . . . . 0.0 115.12 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -80.93 -13.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 O-C-N 119.242 -2.161 . . . . 0.0 111.937 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.72 -46.65 89.58 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.261 1.424 . . . . 0.0 110.909 163.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -66.21 -38.1 87.15 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.913 1.685 . . . . 0.0 114.099 173.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.99 -45.69 91.24 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.195 -1.566 . . . . 0.0 113.177 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.69 -43.65 93.95 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.298 1.039 . . . . 0.0 112.376 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -61.9 -40.61 96.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -61.2 -41.3 96.58 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.169 -1.582 . . . . 0.0 113.51 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.23 -32.94 81.28 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 120.578 -1.326 . . . . 0.0 114.568 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 47.9 tp -67.31 -46.11 74.5 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.06 1.344 . . . . 0.0 112.001 170.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -64.83 -47.77 76.79 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.604 1.161 . . . . 0.0 113.097 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -91.76 22.77 3.95 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 119.776 -1.827 . . . . 0.0 113.641 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.758 0 N-CA-C 114.647 0.619 . . . . 0.0 114.647 -173.362 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.5 2.025 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 78.8 p -149.59 133.9 17.37 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.55 -44.85 99.79 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-O 115.678 -2.106 . . . . 0.0 112.432 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.04 -47.2 15.92 Favored 'Trans proline' 0 C--N 1.359 1.091 0 CA-C-N 127.14 3.586 . . . . 0.0 115.832 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.05 -44.89 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.526 1.057 . . . . 0.0 111.886 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.9 -44.74 99.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 CA-C-O 122.451 1.12 . . . . 0.0 113.163 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.8 -47.23 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.349 1.059 . . . . 0.0 113.266 172.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.25 97.48 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.285 -1.509 . . . . 0.0 114.626 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.38 72.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 120.433 -1.417 . . . . 0.0 114.658 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -61.27 -61.31 2.64 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 121.312 -0.868 . . . . 0.0 112.488 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -33.51 -56.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.776 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 165.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -65.58 -36.27 77.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.38 -49.76 37.46 Favored Glycine 0 C--N 1.349 1.296 0 O-C-N 119.714 -1.866 . . . . 0.0 117.336 168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.15 -47.48 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 C-N-CA 126.36 1.864 . . . . 0.0 111.428 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.04 -41.61 35.61 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.492 -2.14 . . . . 0.0 115.882 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -61.21 -42.63 98.94 Favored 'General case' 0 C--N 1.403 2.898 0 O-C-N 117.391 -3.318 . . . . 0.0 113.008 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.62 -37.42 83.89 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.209 -1.557 . . . . 0.0 112.654 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.6 -42.72 97.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 O-C-N 120.522 -1.362 . . . . 0.0 111.653 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.23 -39.12 81.74 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.121 -1.612 . . . . 0.0 113.057 172.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.27 -45.52 94.16 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.242 -1.536 . . . . 0.0 112.812 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -66.0 -42.03 90.9 Favored 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 42.8 tp -52.15 -46.41 65.42 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.325 1.05 . . . . 0.0 112.767 166.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.34 -48.92 73.74 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 118.806 -2.434 . . . . 0.0 115.533 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -82.19 -35.74 28.02 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 119.59 -1.944 . . . . 0.0 114.244 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.67 -39.16 10.04 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.888 -1.133 . . . . 0.0 112.549 -176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -117.77 33.02 5.83 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.658 -1.276 . . . . 0.0 111.954 -167.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -43.47 -31.5 0.71 Allowed 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 121.011 3.708 . . . . 0.0 121.011 -164.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.33 -39.23 89.79 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.502 -1.373 . . . . 0.0 114.354 -167.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -67.25 -42.72 83.46 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 tp -79.73 -13.78 13.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 124.094 1.902 . . . . 0.0 112.68 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -66.14 -39.39 89.81 Favored 'General case' 0 N--CA 1.42 -1.962 0 O-C-N 120.779 -1.201 . . . . 0.0 113.29 170.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -62.19 -37.43 85.25 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.364 -1.46 . . . . 0.0 112.419 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.91 -46.28 89.87 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.182 0.993 . . . . 0.0 111.734 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.86 -44.9 95.89 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.321 1.048 . . . . 0.0 113.361 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -46.05 91.27 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 124.424 1.09 . . . . 0.0 113.593 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -60.81 -39.86 90.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.908 -1.12 . . . . 0.0 112.779 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.3 -33.72 85.86 Favored Glycine 0 C--N 1.349 1.297 0 O-C-N 121.277 -0.889 . . . . 0.0 115.004 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.07 -40.92 59.83 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 118.585 1.193 . . . . 0.0 113.948 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.68 -39.38 88.27 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 127.304 2.242 . . . . 0.0 114.266 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -102.64 30.18 4.84 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 124.26 1.024 . . . . 0.0 111.014 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.883 0 N-CA-C 115.364 0.906 . . . . 0.0 115.364 -172.207 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.759 15.1 m . . . . . 0 N--CA 1.497 1.897 1 N-CA-C 124.357 4.947 . . . . 0.0 124.357 . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -157.47 15.98 0.26 Allowed 'General case' 0 C--N 1.377 1.78 0 N-CA-C 120.232 3.419 . . . . 0.0 120.232 -162.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.323 4.2 m-20 -54.61 -38.74 69.69 Favored Pre-proline 0 C--N 1.346 0.417 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 171.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.37 -29.11 66.52 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.769 2.313 . . . . 0.0 115.906 170.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.8 tp -84.0 -47.89 10.51 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 119.825 1.193 . . . . 0.0 112.583 173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.36 -37.8 78.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.458 1.503 . . . . 0.0 113.286 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.62 -47.4 93.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 C-N-CA 124.81 1.244 . . . . 0.0 113.623 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.58 88.52 Favored 'General case' 0 C--O 1.225 -0.201 0 O-C-N 121.315 -0.865 . . . . 0.0 112.924 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.17 73.18 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.9 m -63.89 -51.69 63.36 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -42.43 -51.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 166.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 mm -61.43 -39.1 81.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.128 -1.608 . . . . 0.0 113.375 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.96 -54.24 26.6 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 119.36 -2.087 . . . . 0.0 116.887 170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.0 -43.1 97.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.021 0 CA-C-O 122.422 1.106 . . . . 0.0 110.9 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.9 tp -52.69 -40.99 63.47 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.503 1.521 . . . . 0.0 112.668 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -34.53 78.61 Favored 'General case' 0 C--N 1.377 1.799 0 O-C-N 118.498 -2.626 . . . . 0.0 115.889 172.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.75 -40.98 75.82 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.964 -0.46 . . . . 0.0 110.404 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mt -60.24 -42.02 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.942 1.297 . . . . 0.0 109.262 176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.19 -44.51 83.65 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.505 ' HE1' ' HE ' ' A' ' 45' ' ' ARG . 1.7 t90 -68.44 -39.18 81.61 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 119.451 -2.03 . . . . 0.0 112.518 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.2 mm -58.5 -46.09 89.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 O-C-N 120.479 -1.388 . . . . 0.0 109.919 171.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.0 mt -56.28 -43.43 78.81 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 170.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -44.41 96.37 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.702 1.601 . . . . 0.0 114.488 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HE ' ' HE1' ' A' ' 41' ' ' TRP . 22.9 mtt180 -85.69 -37.23 19.65 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.6 tp -78.5 -43.87 25.89 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 113.9 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -110.55 56.31 0.63 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 123.598 1.666 . . . . 0.0 108.824 -172.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.3 -34.66 68.93 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 127.075 2.15 . . . . 0.0 116.324 -166.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -65.27 -26.59 68.16 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.085 -1.634 . . . . 0.0 113.086 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.0 m -60.83 -42.06 97.0 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.912 -1.742 . . . . 0.0 114.294 168.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 -32.71 53.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 O-C-N 120.394 -1.441 . . . . 0.0 111.533 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -60.7 -43.7 97.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.241 1.02 . . . . 0.0 112.87 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.14 -42.05 94.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.155 1.782 . . . . 0.0 113.685 172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.16 -47.05 81.37 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.71 -1.244 . . . . 0.0 113.294 173.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -63.84 -38.16 90.05 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.431 -1.418 . . . . 0.0 112.656 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.3 -47.56 83.27 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.11 -0.994 . . . . 0.0 112.623 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -62.25 -40.3 95.71 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 121.453 -0.779 . . . . 0.0 112.511 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.75 -11.09 85.67 Favored Glycine 0 C--N 1.349 1.288 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tp -86.24 -38.28 17.76 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.81 -1.406 . . . . 0.0 110.269 170.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -75.09 -48.26 24.7 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -119.82 149.49 41.97 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 1 N-CA-C 101.279 -4.729 . . . . 0.0 101.279 -174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.462 21.4 t . . . . . 0 N--CA 1.522 3.167 0 N-CA-C 101.111 -3.663 . . . . 0.0 101.111 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 61.4 m -116.8 21.52 13.3 Favored 'General case' 0 CA--C 1.494 -1.178 0 O-C-N 120.376 -1.452 . . . . 0.0 107.293 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.87 -44.89 91.79 Favored Pre-proline 0 N--CA 1.432 -1.373 0 CA-C-O 114.769 -2.538 . . . . 0.0 116.096 -171.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.18 -44.57 23.57 Favored 'Trans proline' 0 C--N 1.35 0.61 0 CA-C-N 127.455 3.698 . . . . 0.0 115.162 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 tp -66.09 -48.54 70.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.249 1.42 . . . . 0.0 114.758 171.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.95 -41.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 O-C-N 120.482 -1.386 . . . . 0.0 112.968 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.91 -47.27 94.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 O-C-N 120.462 -1.399 . . . . 0.0 110.039 172.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.4 94.62 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.53 80.78 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 120.6 -1.313 . . . . 0.0 113.418 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -63.43 -52.84 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.2 mt -45.79 -50.31 3.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 124.366 1.066 . . . . 0.0 113.515 166.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.502 HG23 HD22 ' C' ' 38' ' ' LEU . 2.4 mt -60.64 -39.65 82.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 O-C-N 120.247 -1.533 . . . . 0.0 114.223 175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.68 -53.37 25.84 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 119.671 -1.893 . . . . 0.0 116.486 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 33.1 mt -65.05 -45.74 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.033 0.933 . . . . 0.0 109.668 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -51.06 -42.12 60.34 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 114.043 -1.435 . . . . 0.0 112.138 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -60.92 -37.29 81.78 Favored 'General case' 0 C--N 1.384 2.102 0 O-C-N 118.434 -2.666 . . . . 0.0 113.848 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 tp -68.46 -43.54 76.8 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.343 -1.473 . . . . 0.0 111.739 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.61 -37.85 80.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 0 O-C-N 120.452 -1.405 . . . . 0.0 112.565 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.41 -34.61 77.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.709 -1.869 . . . . 0.0 114.475 168.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -64.83 -44.77 88.75 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.583 -1.948 . . . . 0.0 114.368 170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . 0.269 24.1 mm -65.41 -43.39 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.553 1.541 . . . . 0.0 109.9 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.2 -44.03 61.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 165.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -59.65 -43.99 93.69 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.243 -1.536 . . . . 0.0 112.208 -173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -104.73 -9.76 17.92 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.94 -45.56 14.0 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.102 -2.248 . . . . 0.0 112.973 170.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -124.85 58.38 1.25 Allowed 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.94 -1.1 . . . . 0.0 109.104 -176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -34.99 -35.14 0.04 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.627 3.171 . . . . 0.0 117.371 -176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -63.14 -34.63 78.03 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 115.273 1.582 . . . . 0.0 115.273 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.9 m -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.622 -1.924 . . . . 0.0 112.656 176.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 30.1 mm -71.95 -25.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.463 -1.398 . . . . 0.0 112.578 173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.34 -45.86 92.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.597 -1.314 . . . . 0.0 112.222 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 77.9 mmt-85 -64.46 -43.46 94.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 174.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -64.23 -43.36 95.19 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 120.648 -1.283 . . . . 0.0 112.794 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -30.81 66.95 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.497 -1.377 . . . . 0.0 111.839 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.15 -44.7 96.91 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.792 -1.192 . . . . 0.0 112.455 171.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -61.2 -45.5 94.32 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.609 -1.307 . . . . 0.0 112.495 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.12 -16.33 80.77 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 119.486 -2.009 . . . . 0.0 115.65 -178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 69.0 tp -72.95 -48.72 34.31 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 118.832 1.316 . . . . 0.0 111.891 167.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -77.26 -31.72 55.13 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 125.551 1.54 . . . . 0.0 113.089 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -106.15 21.59 17.11 Favored 'General case' 0 CA--C 1.489 -1.371 0 O-C-N 120.405 -1.435 . . . . 0.0 113.993 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.827 0 C-N-CA 117.369 -2.348 . . . . 0.0 115.728 -162.188 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . 0.391 6.5 t . . . . . 0 CA--C 1.445 -3.069 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -122.09 99.95 6.71 Favored 'General case' 0 N--CA 1.42 -1.94 1 N-CA-C 98.733 -4.543 . . . . 0.0 98.733 173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -55.95 -35.81 38.85 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -82.34 -14.58 9.32 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 CA-C-N 124.915 2.791 . . . . 0.0 112.8 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.87 -53.84 7.37 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 120.11 1.323 . . . . 0.0 113.161 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.01 -23.39 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 O-C-N 121.376 -0.828 . . . . 0.0 112.234 -161.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.61 -45.55 97.27 Favored 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 168.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.6 94.23 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 122.625 1.202 . . . . 0.0 112.713 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.93 93.49 Favored 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 26.5 m -63.69 -51.16 66.29 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.801 -1.187 . . . . 0.0 113.075 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 75.8 mt -42.29 -51.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 123.61 0.764 . . . . 0.0 112.559 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.47 HG23 HD22 ' D' ' 38' ' ' LEU . 13.9 mt -60.52 -37.89 76.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 125.491 1.517 . . . . 0.0 115.028 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.19 94.43 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 119.031 -2.293 . . . . 0.0 115.012 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -65.29 -44.4 94.91 Favored 'Isoleucine or valine' 0 C--N 1.349 0.566 0 O-C-N 121.157 -1.202 . . . . 0.0 111.569 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.62 -45.06 57.44 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.489 -1.232 . . . . 0.0 113.861 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.443 ' HE1' ' CE3' ' D' ' 41' ' ' TRP . 1.6 t-80 -60.15 -43.38 95.78 Favored 'General case' 0 C--N 1.39 2.346 0 O-C-N 118.154 -2.841 . . . . 0.0 112.751 174.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.502 HD22 HG23 ' B' ' 33' ' ' ILE . 56.4 tp -59.19 -43.46 92.21 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.977 0.911 . . . . 0.0 112.544 175.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.14 -43.04 97.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 121.233 -0.917 . . . . 0.0 112.215 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.55 -36.7 81.36 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.997 -1.689 . . . . 0.0 114.078 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.738 -1.851 . . . . 0.0 114.376 173.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.69 -42.01 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 O-C-N 120.184 -1.573 . . . . 0.0 111.137 175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.74 -33.23 70.02 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 169.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.7 -47.95 81.38 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.5 -1.375 . . . . 0.0 111.521 173.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -76.95 -54.78 6.13 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 119.855 -1.778 . . . . 0.0 114.692 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 21.2 tp -74.57 -34.67 62.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.34 1.456 . . . . 0.0 113.818 -167.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -135.08 42.32 2.77 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.998 0.919 . . . . 0.0 111.276 -169.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -30.53 -46.26 0.07 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 130.597 3.559 . . . . 0.0 118.124 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -43.12 -35.16 1.24 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 119.303 3.075 . . . . 0.0 119.303 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -70.27 -42.01 72.68 Favored 'General case' 0 CA--C 1.517 -0.324 0 O-C-N 119.754 -1.841 . . . . 0.0 115.294 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.14 -21.77 22.24 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 125.733 1.613 . . . . 0.0 110.49 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -65.88 -46.17 79.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 168.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -67.05 -40.35 87.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 125.421 1.488 . . . . 0.0 113.158 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.91 -51.61 68.96 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.744 1.218 . . . . 0.0 112.932 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -62.21 -39.23 92.06 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.836 1.255 . . . . 0.0 112.898 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -56.4 -43.87 79.74 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 125.465 1.506 . . . . 0.0 113.135 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -63.93 -40.77 97.23 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 124.635 1.174 . . . . 0.0 113.3 174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.55 -36.09 68.14 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 120.135 -1.603 . . . . 0.0 115.457 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.36 -40.9 96.75 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 121.494 -1.004 . . . . 0.0 111.563 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -66.79 -43.73 83.15 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -105.44 -9.73 17.35 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.677 0 CA-C-N 122.18 2.264 . . . . 0.0 115.106 -176.384 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 43.0 p -101.57 164.31 11.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 117.686 2.476 . . . . 0.0 117.686 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.08 -48.81 95.87 Favored Pre-proline 0 CA--C 1.564 1.502 0 CA-C-O 115.94 -1.981 . . . . 0.0 114.813 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -68.67 -38.93 9.72 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 126.95 3.518 . . . . 0.0 116.073 -155.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.89 -41.97 90.84 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 119.229 0.922 . . . . 0.0 112.309 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.39 -45.95 91.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 124.212 1.005 . . . . 0.0 112.807 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.35 -45.6 98.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 C-N-CA 124.293 1.037 . . . . 0.0 110.807 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.63 93.6 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 120.752 -1.218 . . . . 0.0 114.042 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.13 84.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.258 -1.526 . . . . 0.0 113.482 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 33.7 p -61.64 -52.25 65.1 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -42.22 -51.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 C-N-CA 124.907 1.283 . . . . 0.0 112.354 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.98 -38.44 82.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 114.187 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.8 -53.7 31.85 Favored Glycine 0 C--N 1.351 1.368 0 O-C-N 119.812 -1.805 . . . . 0.0 116.001 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.03 -46.39 96.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.625 0 O-C-N 121.613 -0.933 . . . . 0.0 111.798 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 39.5 tp -51.21 -41.94 60.6 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.214 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -61.55 -39.1 89.9 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 117.664 -3.147 . . . . 0.0 114.636 170.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.47 HD22 HG23 ' C' ' 33' ' ' ILE . 50.5 tp -67.35 -40.08 85.81 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.666 -1.271 . . . . 0.0 109.93 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mt -61.78 -42.53 94.79 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 O-C-N 120.779 -1.2 . . . . 0.0 111.424 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.26 -37.73 88.39 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' HE1' ' C' ' 37' ' ' HIS . 8.7 t-105 -61.17 -43.39 98.96 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.639 -1.913 . . . . 0.0 112.499 170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . 0.328 59.7 mt -61.25 -45.85 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 120.764 -1.21 . . . . 0.0 109.047 176.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -41.49 71.62 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.425 2.75 . . . . 0.0 118.425 167.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.1 -43.86 98.24 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 122.806 2.548 . . . . 0.0 112.412 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -99.51 -19.26 17.0 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.362 -1.461 . . . . 0.0 113.659 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 24.1 tp -108.11 -23.23 12.06 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.411 -1.431 . . . . 0.0 113.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -130.11 36.51 4.0 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.907 -1.121 . . . . 0.0 109.672 -173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -39.92 -28.01 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.524 1 C-N-CA 132.59 4.356 . . . . 0.0 119.947 -173.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.345 0.386 0 O-C-N 118.817 -2.427 . . . . 0.0 115.135 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 57.8 m -60.29 -42.31 95.2 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.205 -1.559 . . . . 0.0 114.383 174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 tp -75.97 -16.06 15.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 119.791 -1.818 . . . . 0.0 112.371 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -44.55 72.74 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.479 -1.388 . . . . 0.0 112.736 166.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -63.49 -44.52 94.15 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.269 -1.52 . . . . 0.0 113.293 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -63.92 -46.07 86.46 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.693 -1.254 . . . . 0.0 113.343 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.25 -41.77 99.1 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.983 -1.073 . . . . 0.0 113.255 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.54 -42.16 87.21 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 124.211 1.004 . . . . 0.0 113.172 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -60.35 -41.19 93.11 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.997 1.719 . . . . 0.0 113.321 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.54 -36.98 77.67 Favored Glycine 0 C--N 1.353 1.494 0 O-C-N 120.325 -1.485 . . . . 0.0 115.167 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 39.6 mt -66.4 -37.39 85.13 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.891 -1.358 . . . . 0.0 112.352 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -65.9 -43.14 89.11 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -100.44 10.82 40.67 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.37 -1.456 . . . . 0.0 113.069 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 CA-C-O 118.076 -1.402 . . . . 0.0 110.333 168.547 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.505 2.313 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.6 p -118.87 14.54 13.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 119.535 -1.978 . . . . 0.0 114.422 -166.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -56.29 -45.08 99.96 Favored Pre-proline 0 C--N 1.349 0.575 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -61.7 -34.77 82.91 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 CA-C-N 124.948 2.803 . . . . 0.0 114.29 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 tp -68.16 -48.33 65.62 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.422 1.089 . . . . 0.0 113.073 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.47 -43.01 98.21 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 124.146 0.978 . . . . 0.0 112.104 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.32 -49.07 85.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 O-C-N 120.693 -1.254 . . . . 0.0 112.397 175.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.88 92.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.472 -1.393 . . . . 0.0 114.3 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.28 93.6 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.9 p -65.53 -47.85 74.5 Favored 'General case' 0 C--N 1.343 0.295 0 O-C-N 120.59 -1.319 . . . . 0.0 113.901 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -45.32 -49.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.365 1.246 0 C-N-CA 125.878 1.671 . . . . 0.0 112.919 163.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.06 -37.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 119.773 -1.83 . . . . 0.0 114.022 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.21 -50.44 22.69 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 120.146 -1.597 . . . . 0.0 116.235 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.89 -44.97 98.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 121.198 -1.177 . . . . 0.0 110.861 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.15 -41.61 72.04 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.18 73.55 Favored 'General case' 0 C--N 1.382 1.997 0 O-C-N 118.317 -2.739 . . . . 0.0 114.65 172.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.03 -39.93 75.48 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.419 -0.8 . . . . 0.0 110.764 174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.71 -42.2 91.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 O-C-N 120.798 -1.189 . . . . 0.0 110.875 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.251 9.5 mp -60.68 -34.01 73.7 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.109 -1.619 . . . . 0.0 114.433 175.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -58.52 -43.71 89.25 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 123.064 1.412 . . . . 0.0 113.289 170.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -66.05 -44.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 119.283 -2.136 . . . . 0.0 111.082 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.03 -39.07 77.45 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 124.763 1.225 . . . . 0.0 113.499 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.32 -50.46 60.0 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.009 -1.682 . . . . 0.0 114.58 171.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -76.43 -40.08 51.65 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -110.17 -12.79 14.44 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 120.522 -1.361 . . . . 0.0 113.849 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -133.64 34.37 3.44 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.558 -1.339 . . . . 0.0 110.597 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -44.67 -28.79 0.65 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 -167.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -73.94 -17.77 60.97 Favored 'General case' 0 C--N 1.342 0.248 0 O-C-N 118.663 -2.523 . . . . 0.0 114.658 -164.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.3 m -70.49 -48.33 56.21 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.683 -1.26 . . . . 0.0 113.465 164.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 tt -75.32 -18.28 15.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.114 -1.616 . . . . 0.0 112.283 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.82 -41.51 97.86 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.015 1.326 . . . . 0.0 112.45 166.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.2 -43.45 91.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.131 -1.606 . . . . 0.0 113.113 171.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -63.23 -43.39 98.2 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.341 -0.849 . . . . 0.0 112.241 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.26 -44.08 97.83 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 125.372 1.469 . . . . 0.0 112.973 173.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -61.18 -44.47 97.25 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.289 -0.882 . . . . 0.0 112.178 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.35 -42.8 96.48 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.243 -0.911 . . . . 0.0 113.02 175.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.44 88.46 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 121.182 -0.949 . . . . 0.0 114.524 174.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp -75.2 -43.53 51.43 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.416 1.086 . . . . 0.0 113.572 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.91 -44.96 68.58 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.792 -1.192 . . . . 0.0 113.997 175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -99.77 9.3 43.29 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.197 -1.564 . . . . 0.0 110.446 -174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 C-N-CA 125.303 1.43 . . . . 0.0 110.564 162.807 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.501 2.078 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -78.25 56.22 1.66 Allowed 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.992 1.377 . . . . 0.0 111.591 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -59.42 -44.9 98.76 Favored Pre-proline 0 N--CA 1.43 -1.433 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -67.94 -32.86 27.77 Favored 'Trans proline' 0 CA--C 1.511 -0.673 0 CA-C-N 124.59 2.675 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.4 -45.96 78.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.507 0.723 . . . . 0.0 112.211 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.17 -45.27 98.95 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.334 -0.853 . . . . 0.0 112.917 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.3 -53.7 44.52 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 O-C-N 121.014 -1.054 . . . . 0.0 111.432 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.12 95.57 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.33 98.23 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.4 m -69.25 -48.99 60.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 121.175 -0.953 . . . . 0.0 112.461 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -46.62 -49.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.244 0 C-N-CA 125.575 1.55 . . . . 0.0 112.358 165.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.86 -38.81 75.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 C-N-CA 125.807 1.643 . . . . 0.0 113.475 175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -37.36 94.8 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 119.828 -1.795 . . . . 0.0 114.769 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.32 -44.68 83.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 122.898 1.332 . . . . 0.0 111.972 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.59 -41.05 76.34 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -57.27 -47.62 80.99 Favored 'General case' 0 C--N 1.39 2.354 0 O-C-N 119.428 -2.045 . . . . 0.0 112.468 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.51 -38.06 88.49 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.409 -1.432 . . . . 0.0 114.778 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.87 -39.93 83.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 O-C-N 120.372 -1.455 . . . . 0.0 111.154 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.24 -35.15 74.83 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -62.36 -40.29 95.95 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.45 1.595 . . . . 0.0 114.046 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 78.1 mt -68.16 -41.63 84.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 119.895 -1.753 . . . . 0.0 110.019 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.72 -38.92 76.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.591 169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.85 -50.47 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 120.153 -1.592 . . . . 0.0 114.28 173.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -94.92 -20.67 19.21 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.151 -1.593 . . . . 0.0 114.732 -165.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -105.7 -20.55 13.42 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.096 -1.627 . . . . 0.0 114.346 176.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -134.92 30.33 3.38 Favored 'General case' 0 CA--C 1.516 -0.342 0 O-C-N 120.237 -1.54 . . . . 0.0 108.262 -167.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -40.5 -21.97 0.01 OUTLIER 'General case' 0 C--N 1.35 0.607 0 N-CA-C 119.784 3.253 . . . . 0.0 119.784 -168.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -61.8 -38.66 88.91 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 119.898 -1.751 . . . . 0.0 115.444 -174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -68.12 -43.48 78.31 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.69 -1.881 . . . . 0.0 113.76 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 tp -76.67 -20.12 14.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 120.673 -1.267 . . . . 0.0 112.572 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -63.68 -44.88 92.43 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.207 1.403 . . . . 0.0 110.589 169.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -64.74 -41.72 95.71 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 124.518 1.127 . . . . 0.0 112.895 171.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.06 -40.72 98.52 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.584 -1.322 . . . . 0.0 112.506 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -67.88 -39.77 83.63 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.173 -1.579 . . . . 0.0 112.23 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.51 -44.26 89.43 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.78 -1.2 . . . . 0.0 111.311 174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -60.86 -40.26 92.24 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.392 1.477 . . . . 0.0 113.376 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.81 -31.58 67.27 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 120.302 -1.499 . . . . 0.0 114.434 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.95 -44.59 69.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.242 -1.152 . . . . 0.0 113.259 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.3 -25.39 39.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.233 -1.542 . . . . 0.0 114.248 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -121.85 16.11 10.95 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.658 1.183 . . . . 0.0 112.363 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.737 0 CA-C-O 118.377 -1.235 . . . . 0.0 111.631 178.475 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.6 t -130.31 105.43 7.89 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.61 -45.16 99.58 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 116.256 -1.831 . . . . 0.0 114.404 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -81.21 -28.88 2.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 CA-C-N 126.21 3.254 . . . . 0.0 111.416 -176.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 119.228 0.922 . . . . 0.0 113.014 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -44.62 99.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 C-N-CA 124.809 1.244 . . . . 0.0 112.126 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.46 -47.04 93.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 O-C-N 120.578 -1.326 . . . . 0.0 113.037 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.23 -47.05 84.13 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.227 -1.546 . . . . 0.0 114.895 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.68 88.43 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 122.491 1.139 . . . . 0.0 113.675 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -67.31 -48.16 68.42 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 119.481 -2.012 . . . . 0.0 113.938 176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 56.7 mt -50.32 -44.39 23.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.075 0 C-N-CA 125.793 1.637 . . . . 0.0 112.008 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mt -58.6 -36.51 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.534 -1.354 . . . . 0.0 113.675 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.07 92.69 Favored Glycine 0 C--N 1.353 1.488 0 O-C-N 118.72 -2.488 . . . . 0.0 116.186 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -68.51 -46.55 80.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 123.311 1.529 . . . . 0.0 110.66 170.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.09 -42.14 62.97 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 125.092 1.357 . . . . 0.0 112.643 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.44 -35.28 75.47 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 127.599 2.36 . . . . 0.0 115.062 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.06 -44.3 89.46 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 122.472 1.129 . . . . 0.0 111.238 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 35.7 mt -60.58 -37.33 74.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 125.848 1.659 . . . . 0.0 111.44 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt -56.79 -33.5 66.72 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' C' ' 45' ' ' ARG . 0.0 OUTLIER -64.52 -42.77 95.57 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 119.846 -1.784 . . . . 0.0 113.837 178.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -64.16 -41.92 93.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 CA-C-O 123.518 1.628 . . . . 0.0 109.884 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.19 -40.62 82.02 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 126.882 2.073 . . . . 0.0 114.237 171.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.52 -47.9 44.76 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.39 -2.069 . . . . 0.0 114.396 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.41 ' HD3' ' CZ3' ' C' ' 41' ' ' TRP . 22.4 mmm180 -77.38 -43.28 33.29 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 119.152 -2.218 . . . . 0.0 113.785 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 50.1 tp -94.65 -21.57 18.72 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.552 -1.343 . . . . 0.0 112.456 -167.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.277 14.1 p90 -143.95 49.47 1.37 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.335 1.064 . . . . 0.0 112.647 177.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -37.95 -40.9 0.5 Allowed 'General case' 0 C--N 1.352 0.697 0 C-N-CA 129.916 3.286 . . . . 0.0 117.931 -176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -36.9 -49.54 0.81 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 119.331 3.086 . . . . 0.0 119.331 -175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -63.82 -45.29 90.29 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.573 -1.955 . . . . 0.0 114.582 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 12.4 tt -78.72 -18.65 13.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 O-C-N 119.409 -2.057 . . . . 0.0 112.312 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.41 -40.61 96.11 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.711 -1.243 . . . . 0.0 112.371 169.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -64.87 -37.1 86.51 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 119.892 -1.755 . . . . 0.0 113.369 170.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -61.88 -41.36 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.525 1.13 . . . . 0.0 112.141 172.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -64.56 -42.78 95.45 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.578 1.551 . . . . 0.0 112.664 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.94 -40.83 96.87 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.236 1.014 . . . . 0.0 112.56 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -59.32 -39.94 84.72 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.184 -0.948 . . . . 0.0 112.682 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.89 -31.64 81.58 Favored Glycine 0 C--N 1.354 1.551 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.81 -48.11 60.28 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.229 1.515 . . . . 0.0 111.709 170.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -66.51 -44.05 83.62 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -98.51 12.43 35.16 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 120.908 -1.12 . . . . 0.0 111.46 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 O-C-N 120.971 -1.081 . . . . 0.0 114.427 -173.234 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.1 p -163.07 163.59 25.83 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -80.43 -47.23 1.3 Allowed Pre-proline 0 C--N 1.351 0.671 0 CA-C-O 116.188 -1.863 . . . . 0.0 115.207 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -61.89 -35.36 78.39 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-N 125.512 3.004 . . . . 0.0 114.165 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 52.5 tp -66.25 -50.27 64.32 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -67.71 -40.46 83.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 C-N-CA 124.448 1.099 . . . . 0.0 112.892 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.11 -48.81 86.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.18 -0.95 . . . . 0.0 111.434 172.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.65 87.27 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -33.01 74.71 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 88.0 p -69.28 -46.26 67.64 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 119.64 -1.913 . . . . 0.0 115.169 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -39.93 -47.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 126.432 1.893 . . . . 0.0 112.521 166.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.0 -23.08 31.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.836 2.054 . . . . 0.0 112.227 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.82 37.51 Favored Glycine 0 C--N 1.37 2.437 0 O-C-N 118.503 -2.623 . . . . 0.0 111.777 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 22.5 mt -65.57 -42.79 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 119.59 -2.123 . . . . 0.0 112.019 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.01 -41.77 68.35 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.667 -1.152 . . . . 0.0 113.113 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.91 -34.42 74.64 Favored 'General case' 0 C--N 1.393 2.46 0 O-C-N 118.076 -2.89 . . . . 0.0 114.593 171.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.75 -41.7 99.33 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 123.804 1.764 . . . . 0.0 111.579 -175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.35 -38.93 77.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 C-N-CA 127.635 2.374 . . . . 0.0 112.212 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.74 -36.36 80.75 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 119.891 -1.756 . . . . 0.0 115.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -38.87 92.61 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 118.689 -2.507 . . . . 0.0 112.638 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.64 -45.88 94.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.937 1.695 . . . . 0.0 110.253 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -57.75 -42.02 83.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.958 1.703 . . . . 0.0 113.366 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -68.68 -50.97 46.75 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.831 -1.793 . . . . 0.0 114.249 172.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -72.79 -45.78 56.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 118.877 -2.389 . . . . 0.0 114.368 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 tp -99.04 -19.18 17.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.897 -1.127 . . . . 0.0 112.23 -163.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -138.1 35.91 2.34 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 123.975 0.91 . . . . 0.0 112.881 -173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -46.86 -20.82 0.15 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 120.322 3.453 . . . . 0.0 120.322 -165.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.51 -43.69 96.83 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 119.231 -2.168 . . . . 0.0 115.295 -168.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -64.3 -44.68 90.88 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 119.665 -1.897 . . . . 0.0 115.481 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 tt -78.73 -16.11 13.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.73 -1.856 . . . . 0.0 111.87 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -65.43 -42.45 92.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.215 1.006 . . . . 0.0 112.527 167.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -63.92 -37.97 89.35 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.218 -1.551 . . . . 0.0 113.181 172.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.7 -45.03 95.77 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.929 -1.107 . . . . 0.0 111.476 171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.14 -45.3 95.23 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.671 -1.268 . . . . 0.0 113.498 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.7 -42.91 94.07 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.814 1.246 . . . . 0.0 112.585 177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -60.67 -39.66 89.25 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.596 -1.315 . . . . 0.0 113.182 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.63 -18.42 79.75 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 120.797 -1.189 . . . . 0.0 114.571 175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.25 -44.78 24.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 120.944 -1.327 . . . . 0.0 111.961 165.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.69 -47.27 72.94 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.804 -1.185 . . . . 0.0 114.11 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -115.17 11.13 16.23 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -167.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 111.453 -179.138 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -137.72 52.25 1.88 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.157 -1.59 . . . . 0.0 108.147 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.87 -45.03 96.69 Favored Pre-proline 0 C--N 1.349 0.579 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -170.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -48.33 -44.17 30.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.482 2.788 . . . . 0.0 117.066 168.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.9 tp -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.622 1.169 . . . . 0.0 113.244 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.07 -44.17 98.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.63 -1.294 . . . . 0.0 112.617 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -61.2 -49.7 83.51 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 C-N-CA 125.134 1.374 . . . . 0.0 111.449 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.68 -44.6 96.64 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.926 1.29 . . . . 0.0 114.07 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.58 -22.59 60.96 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.02 -1.675 . . . . 0.0 113.834 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.2 m -75.91 -49.3 18.21 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.59 -0.694 . . . . 0.0 112.418 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -44.99 -51.8 1.96 Allowed 'Isoleucine or valine' 1 N--CA 1.546 4.357 0 O-C-N 126.918 2.636 . . . . 0.0 110.61 164.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG21 HG12 ' B' ' 35' ' ' ILE . 5.5 mt -62.72 -39.66 85.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 119.847 -1.783 . . . . 0.0 114.782 173.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.76 -37.05 93.05 Favored Glycine 0 N--CA 1.474 1.219 0 O-C-N 118.804 -2.435 . . . . 0.0 115.406 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.38 -46.51 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.375 -1.073 . . . . 0.0 112.197 166.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.43 -39.06 72.46 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.944 -1.48 . . . . 0.0 114.076 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -35.55 79.36 Favored 'General case' 0 C--N 1.396 2.626 0 O-C-N 117.881 -3.012 . . . . 0.0 114.661 170.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.2 85.09 Favored 'General case' 0 C--N 1.364 1.219 0 CA-C-O 122.318 1.056 . . . . 0.0 112.825 171.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.65 -42.71 97.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 121.113 -0.992 . . . . 0.0 110.391 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.62 -40.34 91.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.494 -1.379 . . . . 0.0 114.6 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -57.86 -43.39 85.9 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 120.506 -1.371 . . . . 0.0 111.905 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.47 -43.19 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.696 0 CA-C-O 125.334 2.492 . . . . 0.0 112.968 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.77 -40.64 76.21 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 118.135 -2.853 . . . . 0.0 115.645 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.84 -48.55 81.29 Favored 'General case' 0 C--N 1.368 1.41 0 O-C-N 117.905 -2.997 . . . . 0.0 112.301 170.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.25 -47.61 64.17 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.5 mt -97.64 -19.65 18.15 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 119.459 -2.026 . . . . 0.0 112.408 -170.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.85 40.77 3.33 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.199 -1.563 . . . . 0.0 108.117 -168.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -49.43 -28.58 5.35 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 129.551 3.141 . . . . 0.0 116.197 -165.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -60.97 -38.87 87.45 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 119.957 -1.714 . . . . 0.0 115.179 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.7 m -66.01 -44.25 85.28 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.172 -2.205 . . . . 0.0 114.837 177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.6 -25.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 120.074 -1.641 . . . . 0.0 110.9 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -64.92 -49.77 69.1 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.617 -1.302 . . . . 0.0 113.192 169.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.49 -44.65 90.31 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.899 1.28 . . . . 0.0 112.736 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -63.05 -47.23 83.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.75 0.82 . . . . 0.0 112.291 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 9.5 t80 -65.53 -44.09 87.98 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.538 -1.351 . . . . 0.0 113.896 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.96 -38.78 92.46 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.491 -1.381 . . . . 0.0 112.939 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.66 -37.89 85.71 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.649 -1.907 . . . . 0.0 113.398 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.82 -35.65 54.23 Favored Glycine 0 CA--C 1.492 -1.396 0 CA-C-O 122.855 1.253 . . . . 0.0 114.078 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 69.5 mt -72.85 -44.03 61.88 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 120.561 -1.552 . . . . 0.0 114.404 170.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.73 -40.67 95.71 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 119.756 -1.84 . . . . 0.0 113.687 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -112.4 12.68 20.14 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.605 0 O-C-N 120.603 -1.311 . . . . 0.0 114.461 179.219 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.605 0.717 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -105.99 62.69 0.66 Allowed 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 123.296 1.522 . . . . 0.0 109.629 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.8 -44.94 92.34 Favored Pre-proline 0 N--CA 1.439 -1.018 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.84 -171.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -57.89 -38.94 90.53 Favored 'Trans proline' 0 C--N 1.343 0.267 0 CA-C-N 125.019 2.828 . . . . 0.0 115.11 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.4 -46.44 88.59 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.144 0.978 . . . . 0.0 112.037 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -62.35 -41.06 90.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 125.08 1.352 . . . . 0.0 111.954 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.29 -50.04 80.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 120.238 -1.539 . . . . 0.0 112.579 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.8 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.289 -1.507 . . . . 0.0 113.664 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.31 88.44 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.2 m -65.34 -50.58 65.09 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.215 -0.928 . . . . 0.0 111.902 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.6 mt -48.66 -50.74 12.69 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 C-N-CA 125.859 1.663 . . . . 0.0 110.43 170.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 9.3 mt -60.39 -41.38 87.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.91 57.91 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 124.042 0.83 . . . . 0.0 115.032 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.432 HG12 HG21 ' A' ' 33' ' ' ILE . 35.0 mt -66.35 -43.51 91.32 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 124.358 2.027 . . . . 0.0 109.838 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.57 -41.4 73.25 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.373 -1.454 . . . . 0.0 114.062 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -60.04 -33.68 72.37 Favored 'General case' 0 C--N 1.38 1.934 0 O-C-N 118.347 -2.721 . . . . 0.0 113.292 171.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.63 -43.49 84.55 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 119.786 -1.821 . . . . 0.0 111.651 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.12 -40.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.349 0 C-N-CA 124.236 1.014 . . . . 0.0 111.653 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.22 -41.65 97.22 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 119.856 -1.777 . . . . 0.0 114.666 170.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -62.53 -44.15 97.07 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 119.531 -1.981 . . . . 0.0 111.419 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.99 -48.0 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 124.091 1.901 . . . . 0.0 110.572 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.25 94.6 mt -57.82 -34.38 69.6 Favored 'General case' 0 C--N 1.369 1.449 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 169.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -60.99 -50.91 71.46 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 118.478 -2.639 . . . . 0.0 111.698 168.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . 0.296 0.6 OUTLIER -87.69 -21.79 25.03 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -169.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.75 -21.06 13.26 Favored 'General case' 0 C--N 1.415 3.413 0 O-C-N 120.312 -1.492 . . . . 0.0 111.585 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -118.1 47.63 1.55 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.865 -1.772 . . . . 0.0 107.411 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -45.83 -33.15 2.96 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 130.414 3.486 . . . . 0.0 115.916 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -62.35 -42.55 99.48 Favored 'General case' 0 C--N 1.349 0.575 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -64.07 -45.2 89.8 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.37 -2.081 . . . . 0.0 114.902 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 tp -69.15 -28.4 38.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 120.101 -1.624 . . . . 0.0 112.343 173.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.79 -45.02 95.67 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.886 1.327 . . . . 0.0 112.702 172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -68.9 -41.79 77.75 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.591 1.556 . . . . 0.0 113.092 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -63.54 -41.12 98.47 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.518 -1.364 . . . . 0.0 113.304 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.74 -37.1 73.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.476 -1.39 . . . . 0.0 112.563 176.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -61.22 -44.87 96.57 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.746 -1.221 . . . . 0.0 111.772 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.36 -30.23 70.58 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.734 -1.229 . . . . 0.0 113.269 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.27 -57.82 17.71 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.118 -0.989 . . . . 0.0 113.951 166.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.3 mt -64.51 -44.13 91.88 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -64.96 -34.04 77.46 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.421 -1.424 . . . . 0.0 113.831 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.783 0 C-N-CA 124.731 1.158 . . . . 0.0 114.323 -174.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -145.04 66.29 1.25 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 105.55 -2.019 . . . . 0.0 105.55 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -61.08 -44.21 93.38 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 -166.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -57.05 -39.76 88.81 Favored 'Trans proline' 0 C--N 1.346 0.446 0 CA-C-N 125.48 2.993 . . . . 0.0 114.292 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.442 HD21 HG12 ' D' ' 32' ' ' ILE . 19.0 tp -65.02 -43.26 93.04 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.133 0.973 . . . . 0.0 112.472 176.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.85 -42.65 95.39 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 125.096 1.358 . . . . 0.0 112.683 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.81 -46.62 88.28 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.352 -1.468 . . . . 0.0 113.972 171.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.24 88.94 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.753 -1.217 . . . . 0.0 113.043 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.71 81.79 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.113 1.365 . . . . 0.0 113.795 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 68.7 m -67.06 -50.33 62.15 Favored 'General case' 0 N--CA 1.448 -0.557 0 O-C-N 120.952 -1.093 . . . . 0.0 112.014 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.73 -51.08 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 123.467 0.479 . . . . 0.0 111.735 166.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -36.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.398 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.35 88.4 Favored Glycine 0 C--N 1.365 2.176 0 O-C-N 118.735 -2.478 . . . . 0.0 115.438 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.97 -42.11 85.19 Favored 'Isoleucine or valine' 0 C--N 1.396 2.621 0 O-C-N 118.445 -2.797 . . . . 0.0 110.284 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tt -55.72 -43.68 76.76 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.439 1.096 . . . . 0.0 111.803 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.71 -42.87 89.67 Favored 'General case' 0 C--N 1.379 1.853 0 O-C-N 118.249 -2.782 . . . . 0.0 114.074 171.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 47.7 tp -60.71 -42.71 97.77 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 120.645 -1.284 . . . . 0.0 113.92 171.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.95 -44.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.266 -1.521 . . . . 0.0 111.116 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.75 -38.31 90.61 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 17.7 t-105 -58.8 -42.17 88.45 Favored 'General case' 0 CA--C 1.502 -0.871 0 O-C-N 118.134 -2.854 . . . . 0.0 114.545 172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 32.9 mt -70.14 -40.65 78.49 Favored 'Isoleucine or valine' 0 C--N 1.394 2.509 0 CA-C-O 126.562 3.077 . . . . 0.0 110.619 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 tp -51.62 -45.61 63.32 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 112.254 -2.248 . . . . 0.0 115.619 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.4 -49.06 77.0 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.64 -1.912 . . . . 0.0 113.519 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.39 -46.79 69.07 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.68 -27.37 22.47 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 120.109 -1.619 . . . . 0.0 113.092 -165.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -124.81 49.51 1.84 Allowed 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.881 -1.137 . . . . 0.0 109.027 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -32.34 -50.41 0.23 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.968 2.907 . . . . 0.0 116.226 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -39.2 -49.02 1.84 Allowed 'General case' 0 C--N 1.356 0.863 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -64.37 -36.75 85.14 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 119.803 -1.81 . . . . 0.0 115.353 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mm -85.43 -11.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.907 1.337 . . . . 0.0 111.259 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.73 -44.15 34.44 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.652 1.181 . . . . 0.0 113.097 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -69.59 -35.61 75.48 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.183 0.992 . . . . 0.0 111.314 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.28 -45.59 90.82 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.957 0.903 . . . . 0.0 112.423 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.65 -38.98 80.88 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.413 -1.429 . . . . 0.0 112.846 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.97 -44.27 94.56 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 121.031 -1.043 . . . . 0.0 112.248 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -62.43 -33.22 74.37 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.89 -1.131 . . . . 0.0 113.179 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.94 -44.82 60.18 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 120.452 -1.405 . . . . 0.0 114.115 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.57 -45.66 86.08 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.735 -1.45 . . . . 0.0 112.532 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -62.85 -42.69 99.85 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -121.49 53.47 1.17 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.861 0.865 . . . . 0.0 108.724 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 O-C-N 121.299 -0.876 . . . . 0.0 111.406 178.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.807 0.337 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -150.15 66.73 0.97 Allowed 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.772 -1.205 . . . . 0.0 111.447 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -54.15 -47.87 95.96 Favored Pre-proline 0 C--N 1.357 0.893 0 C-N-CA 126.372 1.869 . . . . 0.0 115.092 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -65.95 -27.27 50.78 Favored 'Trans proline' 0 C--N 1.35 0.646 0 CA-C-N 126.276 3.277 . . . . 0.0 113.909 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.73 -44.89 80.38 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.423 1.089 . . . . 0.0 112.127 173.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.66 -42.86 97.67 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.907 1.283 . . . . 0.0 111.636 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.61 -49.61 81.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 C-N-CA 123.927 0.891 . . . . 0.0 112.966 172.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.49 98.64 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.566 -1.334 . . . . 0.0 113.335 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.42 87.86 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 54.1 p -66.1 -49.69 66.66 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.24 -1.538 . . . . 0.0 113.153 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.442 HG12 HD21 ' C' ' 26' ' ' LEU . 67.0 mt -45.0 -54.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 126.171 1.788 . . . . 0.0 111.743 166.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 mt -59.84 -41.89 87.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 126.249 1.819 . . . . 0.0 112.785 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.16 -51.19 36.77 Favored Glycine 0 C--N 1.348 1.211 0 C-N-CA 126.707 2.098 . . . . 0.0 116.136 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 74.9 mt -68.32 -43.89 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-O 123.714 1.721 . . . . 0.0 109.314 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 67.3 tp -51.59 -46.93 63.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.841 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -56.95 -43.97 82.1 Favored 'General case' 0 C--N 1.393 2.492 0 O-C-N 117.033 -3.542 . . . . 0.0 113.467 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 46.2 tp -59.94 -40.3 88.49 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.368 -1.458 . . . . 0.0 113.364 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.61 -43.3 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.4 mt -68.15 -31.21 70.62 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 16.2 t-105 -59.11 -45.29 91.26 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 119.422 -2.049 . . . . 0.0 111.153 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 68.3 mt -67.09 -42.68 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 CA-C-O 122.827 1.299 . . . . 0.0 108.52 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.67 -41.85 70.67 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.83 -46.89 87.53 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.441 -2.037 . . . . 0.0 113.094 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.36 -40.98 49.72 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 120.857 -1.152 . . . . 0.0 113.525 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 15.7 tp -102.07 -19.73 15.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.027 -1.046 . . . . 0.0 113.271 -167.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -126.4 44.88 2.77 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 122.462 1.125 . . . . 0.0 111.155 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -46.33 -18.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 131.141 3.777 . . . . 0.0 118.178 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.04 -40.94 97.43 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 118.736 -2.477 . . . . 0.0 115.103 173.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 5.3 m -57.42 -43.45 83.8 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.861 -1.149 . . . . 0.0 111.933 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -62.78 -40.26 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.004 0 C-N-CA 126.989 2.115 . . . . 0.0 113.423 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -47.65 78.16 Favored 'General case' 0 N--CA 1.401 -2.923 0 O-C-N 121.286 -0.884 . . . . 0.0 113.086 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -66.39 -42.84 87.29 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.72 -46.68 86.99 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.918 1.687 . . . . 0.0 112.636 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.38 -38.81 74.8 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.183 -0.948 . . . . 0.0 112.853 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.54 -47.14 85.19 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.332 1.453 . . . . 0.0 112.934 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -63.08 -38.34 90.81 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.655 -1.278 . . . . 0.0 112.091 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.09 -41.11 82.27 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 121.131 -0.981 . . . . 0.0 114.517 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.69 -45.46 78.75 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.901 -1.352 . . . . 0.0 113.034 171.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.79 -45.1 91.23 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -101.37 4.94 41.96 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 120.122 -1.611 . . . . 0.0 113.148 -174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.9 -0.945 . . . . 0.0 111.935 176.389 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.3 p -121.56 17.87 11.25 Favored 'General case' 0 CA--C 1.511 -0.539 0 O-C-N 119.76 -1.838 . . . . 0.0 112.049 170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -58.87 -42.68 95.42 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 116.412 2.005 . . . . 0.0 116.412 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.23 -28.48 79.3 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 CA-C-N 123.038 2.121 . . . . 0.0 114.663 168.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.92 -46.84 50.33 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -58.03 -41.23 79.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 C-N-CA 127.004 2.122 . . . . 0.0 115.205 -175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -60.85 -43.53 95.75 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.95 -47.43 65.68 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 118.037 -2.914 . . . . 0.0 115.156 -173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.03 76.76 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.0 p -65.63 -48.55 71.82 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 125.068 2.366 . . . . 0.0 113.725 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.257 70.1 mt -55.64 -40.49 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 126.285 1.834 . . . . 0.0 112.402 168.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.254 53.7 mt -59.12 -37.59 69.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 O-C-N 119.029 -2.294 . . . . 0.0 114.572 165.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -41.14 99.12 Favored Glycine 0 N--CA 1.478 1.475 0 O-C-N 118.58 -2.575 . . . . 0.0 117.124 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HA ' HG21 ' D' ' 33' ' ' ILE . 8.1 mt -62.66 -46.49 96.24 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 O-C-N 119.084 -2.421 . . . . 0.0 112.895 166.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 tp -53.3 -43.62 67.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 113.789 -1.55 . . . . 0.0 113.273 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.01 -42.72 94.93 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 126.41 1.884 . . . . 0.0 113.641 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.748 HD22 HG23 ' D' ' 33' ' ' ILE . 58.1 tp -57.15 -50.21 73.52 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 122.443 1.116 . . . . 0.0 111.192 175.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.0 -45.09 92.44 Favored 'Isoleucine or valine' 0 C--N 1.365 1.278 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.01 -20.79 62.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 119.832 -1.792 . . . . 0.0 112.909 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -67.78 -42.31 81.88 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 119.277 -2.139 . . . . 0.0 113.082 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.68 -42.09 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 123.597 1.665 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.12 -29.97 70.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.505 -1.372 . . . . 0.0 114.14 175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.54 -47.93 83.34 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 119.684 -1.885 . . . . 0.0 112.727 172.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -70.82 -47.15 60.96 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.696 -1.253 . . . . 0.0 112.998 176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.5 tp -89.41 -27.05 20.68 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -164.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.45 59.92 0.61 Allowed 'General case' 0 C--N 1.349 0.563 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -56.4 -34.15 66.45 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.221 2.608 . . . . 0.0 113.991 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.22 -44.29 96.91 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.443 -0.786 . . . . 0.0 112.652 175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.1 m -64.17 -32.65 74.3 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.632 -1.918 . . . . 0.0 114.306 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 tp -94.09 -5.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-O 123.125 1.441 . . . . 0.0 111.457 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -46.83 48.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.204 -1.56 . . . . 0.0 110.69 163.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -63.14 -42.95 99.57 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.714 1.606 . . . . 0.0 111.697 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.66 -44.96 95.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -70.21 -41.62 73.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 119.611 -1.93 . . . . 0.0 113.058 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -61.16 -39.43 90.07 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 119.889 -1.757 . . . . 0.0 112.056 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -61.58 -39.48 91.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.933 0.893 . . . . 0.0 113.335 172.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.09 68.21 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 120.852 -1.155 . . . . 0.0 113.72 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.6 mt -69.08 -46.88 66.68 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -76.36 -29.26 57.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 120.47 -1.394 . . . . 0.0 112.959 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -117.21 17.89 14.64 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -170.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.716 0 CA-C-O 117.724 -1.598 . . . . 0.0 112.032 174.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . 0.302 7.4 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -84.6 46.46 1.24 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 119.959 -1.713 . . . . 0.0 110.55 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.33 -49.32 91.02 Favored Pre-proline 0 N--CA 1.433 -1.295 0 CA-C-O 115.556 -2.164 . . . . 0.0 114.712 -168.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -49.09 -44.07 34.25 Favored 'Trans proline' 0 C--N 1.354 0.816 0 CA-C-N 126.004 3.18 . . . . 0.0 116.187 170.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.89 -42.84 89.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 t -61.72 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 O-C-N 120.436 -1.415 . . . . 0.0 111.78 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.11 -46.58 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.845 1.658 . . . . 0.0 113.116 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.23 76.2 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 122.647 1.213 . . . . 0.0 114.006 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' C' ' 35' ' ' ILE . . . -64.58 -39.6 94.02 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.0 p -70.74 -53.29 16.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 122.099 0.952 . . . . 0.0 112.267 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.0 mm -43.0 -48.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.105 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.435 163.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.514 HG21 ' CD2' ' C' ' 38' ' ' LEU . 23.1 mt -59.93 -37.88 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 O-C-N 119.998 -1.689 . . . . 0.0 114.775 174.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.23 -41.09 94.68 Favored Glycine 0 C--N 1.356 1.668 0 O-C-N 118.811 -2.431 . . . . 0.0 114.178 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -66.15 -43.54 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.052 0.941 . . . . 0.0 111.737 171.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.98 -40.89 77.4 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.922 -1.035 . . . . 0.0 113.628 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -61.07 -46.39 90.86 Favored 'General case' 0 C--N 1.383 2.026 0 O-C-N 118.763 -2.46 . . . . 0.0 112.891 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.97 -41.3 96.11 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.953 0.882 . . . . 0.0 111.561 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 62.6 mt -61.18 -44.71 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 C-N-CA 124.628 1.171 . . . . 0.0 111.478 172.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -37.15 86.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.282 -1.511 . . . . 0.0 114.83 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -60.22 -40.44 90.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.276 -1.515 . . . . 0.0 112.586 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.45 -45.23 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 123.373 1.558 . . . . 0.0 110.789 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.31 -40.69 91.44 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 126.086 1.754 . . . . 0.0 113.279 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -57.94 -45.13 87.1 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 119.3 -2.125 . . . . 0.0 110.649 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -69.67 -45.25 68.81 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 77.1 mt -112.93 -4.95 13.85 Favored 'General case' 0 C--N 1.381 1.976 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -166.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.44 50.27 1.42 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.287 -2.857 . . . . 0.0 103.287 164.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -55.34 -32.89 62.9 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 129.103 2.961 . . . . 0.0 110.977 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -57.84 -38.43 75.65 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.621 -1.299 . . . . 0.0 114.241 173.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.2 m -68.81 -41.86 78.08 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 119.232 -2.167 . . . . 0.0 116.105 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 11.2 tp -75.78 -16.26 15.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 119.525 -1.985 . . . . 0.0 112.387 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -45.81 81.27 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.176 -1.578 . . . . 0.0 112.133 168.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -65.77 -44.68 85.07 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.453 1.501 . . . . 0.0 112.941 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.65 -44.68 89.65 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.293 -0.879 . . . . 0.0 113.35 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -38.26 72.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 119.547 -1.971 . . . . 0.0 112.766 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -58.35 -40.6 82.65 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.104 -0.997 . . . . 0.0 111.555 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' B' ' 61' ' ' ARG . 27.1 t60 -58.36 -44.01 88.63 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.747 1.219 . . . . 0.0 113.285 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -37.59 71.74 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 120.168 -1.583 . . . . 0.0 114.042 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.53 -45.65 93.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 O-C-N 120.924 -1.339 . . . . 0.0 113.351 174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -68.2 -43.03 79.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.431 ' HD2' ' CE1' ' B' ' 57' ' ' HIS . 72.8 mtt85 -97.8 -9.78 25.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 120.215 -1.553 . . . . 0.0 113.905 -163.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.747 0 CA-C-O 117.836 -1.536 . . . . 0.0 113.533 -176.35 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.329 0.585 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 28.0 t -141.3 105.26 4.76 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.839 -2.652 . . . . 0.0 103.839 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.38 -48.56 96.0 Favored Pre-proline 0 C--N 1.353 0.738 0 CA-C-O 115.911 -1.995 . . . . 0.0 113.324 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.19 -32.91 51.22 Favored 'Trans proline' 0 C--N 1.349 0.593 0 CA-C-N 126.528 3.367 . . . . 0.0 113.023 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -47.41 72.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 122.256 1.027 . . . . 0.0 113.057 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.58 -40.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.421 0 O-C-N 120.937 -1.102 . . . . 0.0 113.247 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.64 -45.59 97.17 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 124.22 1.008 . . . . 0.0 111.637 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.95 73.59 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.97 -37.92 72.78 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -167.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -57.46 -57.14 13.98 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 120.517 -1.364 . . . . 0.0 113.158 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -39.63 -49.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.948 0 C-N-CA 125.371 1.468 . . . . 0.0 113.879 172.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 7.3 mm -59.81 -35.09 58.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 125.469 1.508 . . . . 0.0 113.444 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.46 -50.49 35.53 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.374 -1.454 . . . . 0.0 116.349 165.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.55 ' HA ' HD23 ' C' ' 38' ' ' LEU . 6.9 mt -65.59 -43.74 93.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 123.438 1.589 . . . . 0.0 109.266 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.46 -45.45 69.56 Favored 'General case' 0 N--CA 1.431 -1.392 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -79.06 -14.34 59.22 Favored 'General case' 0 C--N 1.396 2.629 0 O-C-N 118.688 -2.508 . . . . 0.0 115.071 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' C' ' 35' ' ' ILE . 1.7 pp -65.28 -39.67 92.89 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 119.686 1.13 . . . . 0.0 111.827 164.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.434 ' N ' ' HG ' ' C' ' 38' ' ' LEU . 89.1 mt -66.84 -40.5 85.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 C-N-CA 124.373 1.069 . . . . 0.0 109.423 -170.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.31 -35.39 78.92 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.611 ' CD1' HG13 ' C' ' 42' ' ' ILE . 0.0 OUTLIER -64.95 -38.63 91.6 Favored 'General case' 0 CA--C 1.567 1.609 0 O-C-N 119.879 -1.763 . . . . 0.0 112.488 174.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.611 HG13 ' CD1' ' C' ' 41' ' ' TRP . 43.6 mt -73.39 -45.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 -170.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.84 -42.66 76.1 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 167.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.84 -42.26 93.19 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 118.932 -2.355 . . . . 0.0 113.752 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -72.68 -46.62 52.87 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -42.87 66.24 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.98 -1.075 . . . . 0.0 113.546 -174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . 0.512 0.0 OUTLIER -120.24 67.81 0.84 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 124.098 1.904 . . . . 0.0 112.806 172.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -46.93 -42.67 18.12 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.501 3.52 . . . . 0.0 113.901 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -36.19 -43.26 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 162.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 27.8 t -70.49 -36.59 73.9 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 119.683 -1.885 . . . . 0.0 114.158 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.1 tp -85.23 -5.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.361 1.088 0 O-C-N 119.285 -2.134 . . . . 0.0 111.142 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -70.41 -42.9 71.01 Favored 'General case' 0 CA--C 1.538 0.488 1 C-N-CA 111.118 -4.233 . . . . 0.0 115.896 154.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -67.22 -46.65 73.18 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.134 -1.604 . . . . 0.0 112.813 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.23 -46.98 81.44 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -69.51 -35.15 75.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.765 -1.209 . . . . 0.0 112.203 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 tt0 -61.48 -43.02 99.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 123.643 0.777 . . . . 0.0 112.362 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -62.58 -39.11 92.64 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.708 -1.245 . . . . 0.0 113.934 178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.36 -37.85 86.51 Favored Glycine 0 C--N 1.353 1.511 0 O-C-N 120.347 -1.471 . . . . 0.0 112.936 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.05 -43.08 93.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.425 1.89 . . . . 0.0 113.762 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -77.36 -29.91 53.57 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.151 1.781 . . . . 0.0 114.001 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -98.89 1.72 45.94 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 121.008 -1.057 . . . . 0.0 111.7 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.555 0 O-C-N 120.149 -1.594 . . . . 0.0 115.112 177.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.499 2.023 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -173.24 129.92 0.46 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . 0.261 9.1 m-20 -63.03 -42.95 80.36 Favored Pre-proline 0 C--N 1.352 0.692 0 CA-C-O 116.552 -1.689 . . . . 0.0 113.348 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -56.69 -40.21 85.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 124.076 2.491 . . . . 0.0 114.853 170.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.11 -43.93 81.22 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.518 1.508 . . . . 0.0 113.052 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.68 -48.75 86.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 120.148 -1.595 . . . . 0.0 114.264 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.81 -39.0 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 125.895 1.678 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.78 -48.96 64.86 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.26 -31.06 67.06 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -168.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 22.6 p -64.65 -53.72 43.13 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 123.339 1.542 . . . . 0.0 114.299 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mt -36.24 -50.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.293 0 C-N-CA 128.702 2.801 . . . . 0.0 114.231 168.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.748 HG23 HD22 ' A' ' 38' ' ' LEU . 21.0 mm -55.94 -40.1 60.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 128.37 2.668 . . . . 0.0 112.115 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.55 -49.24 58.17 Favored Glycine 0 C--N 1.342 0.885 0 O-C-N 120.406 -1.434 . . . . 0.0 116.247 172.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 mt -72.0 -41.98 68.33 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-O 122.945 1.355 . . . . 0.0 109.131 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -52.37 -41.59 63.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.061 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.77 -42.61 99.77 Favored 'General case' 0 C--N 1.394 2.533 0 O-C-N 118.079 -2.888 . . . . 0.0 115.431 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.63 -41.02 89.5 Favored 'General case' 0 C--N 1.382 2.013 0 O-C-N 118.628 -2.545 . . . . 0.0 113.317 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.36 -45.78 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.203 1.401 . . . . 0.0 111.233 173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.29 -41.05 96.33 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.47 -1.394 . . . . 0.0 114.19 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -62.34 -43.4 98.92 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 119.632 -1.917 . . . . 0.0 113.088 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.78 -39.82 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 120.53 -1.356 . . . . 0.0 109.961 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.46 -43.32 83.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.801 1.24 . . . . 0.0 113.376 171.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.76 -47.44 82.5 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 119.24 -2.163 . . . . 0.0 112.098 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.55 -39.25 81.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -103.2 -23.62 13.61 Favored 'General case' 0 N--CA 1.421 -1.887 0 O-C-N 120.475 -1.391 . . . . 0.0 114.047 -167.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.9 47.61 2.21 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.107 1.363 . . . . 0.0 110.572 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.57 -31.7 47.82 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 129.077 2.951 . . . . 0.0 115.859 -170.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -61.34 -30.66 70.66 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 119.831 -1.793 . . . . 0.0 114.165 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -61.17 -44.98 96.44 Favored 'General case' 0 CA--C 1.512 -0.519 0 O-C-N 119.901 -1.749 . . . . 0.0 114.092 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.16 -27.84 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.653 1.581 . . . . 0.0 110.276 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -45.74 88.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 123.977 0.911 . . . . 0.0 113.192 174.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -66.42 -38.73 88.09 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.439 -1.413 . . . . 0.0 113.495 173.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.47 -42.47 87.46 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -64.93 -38.12 89.91 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.185 -1.572 . . . . 0.0 112.207 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -59.96 -44.29 94.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 121.112 -0.993 . . . . 0.0 113.026 173.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -62.33 -43.71 98.19 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 125.328 1.451 . . . . 0.0 113.224 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.19 -35.09 64.13 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 120.802 -1.187 . . . . 0.0 114.511 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.64 -40.96 88.95 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.423 1.111 . . . . 0.0 113.072 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.41 -42.9 78.31 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -106.85 7.61 30.27 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 120.028 -1.67 . . . . 0.0 113.778 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 163.951 . . . . . . . . 0 0 . 1 stop_ save_